N-[3-chloro-4-[5-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]-2-pyridinyl]phenyl]-N-methylpropanamide;N-[3-chloro-4-[6-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]-3-pyridinyl]phenyl]-N-methylpropanamide;N-[2-chloro-4-[4-[2-(1H-pyrazol-5-yl)acetyl]phenyl]phenyl]-N-methylpropanamide;N-[2-fluoro-4-[4-[2-(1H-pyrazol-5-yl)acetyl]phenyl]phenyl]-N-methylpropanamide

C84H80Cl3FN12O10 — CID 167695165

IUPACN-[3-chloro-4-[5-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]-2-pyridinyl]phenyl]-N-methylpropanamide;N-[3-chloro-4-[6-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]-3-pyridinyl]phenyl]-N-methylpropanamide;N-[2-chloro-4-[4-[2-(1H-pyrazol-5-yl)acetyl]phenyl]phenyl]-N-methylpropanamide;N-[2-fluoro-4-[4-[2-(1H-pyrazol-5-yl)acetyl]phenyl]phenyl]-N-methylpropanamide
SMILESCCC(=O)N(C)c1ccc(-c2ccc(C(=O)Cc3cc(C)no3)cn2)c(Cl)c1.CCC(=O)N(C)c1ccc(-c2ccc(C(=O)Cc3cc(C)no3)nc2)c(Cl)c1.CCC(=O)N(C)c1ccc(-c2ccc(C(=O)Cc3ccn[nH]3)cc2)cc1Cl.CCC(=O)N(C)c1ccc(-c2ccc(C(=O)Cc3ccn[nH]3)cc2)cc1F
InChIInChI=1S/2C21H20ClN3O3.C21H20ClN3O2.C21H20FN3O2/c1-4-21(27)25(3)15-6-7-17(18(22)10-15)19-8-5-14(12-23-19)20(26)11-16-9-13(2)24-28-16;1-4-21(27)25(3)15-6-7-17(18(22)10-15)14-5-8-19(23-12-14)20(26)11-16-9-13(2)24-28-16;2*1-3-21(27)25(2)19-9-8-16(12-18(19)22)14-4-6-15(7-5-14)20(26)13-17-10-11-23-24-17/h2*5-10,12H,4,11H2,1-3H3;2*4-12H,3,13H2,1-2H3,(H,23,24)
InChIKeyXNSOXQXTGWKTMI-UHFFFAOYSA-N
MW1542.99 g/mol
LogP17.54
Rot. Bonds24

About N-[3-chloro-4-[5-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]-2-pyridinyl]phenyl]-N-methylpropanamide;N-[3-chloro-4-[6-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]-3-pyridinyl]phenyl]-N-methylpropanamide;N-[2-chloro-4-[4-[2-(1H-pyrazol-5-yl)acetyl]phenyl]phenyl]-N-methylpropanamide;N-[2-fluoro-4-[4-[2-(1H-pyrazol-5-yl)acetyl]phenyl]phenyl]-N-methylpropanamide

N-[3-chloro-4-[5-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]-2-pyridinyl]phenyl]-N-methylpropanamide;N-[3-chloro-4-[6-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]-3-pyridinyl]phenyl]-N-methylpropanamide;N-[2-chloro-4-[4-[2-(1H-pyrazol-5-yl)acetyl]phenyl]phenyl]-N-methylpropanamide;N-[2-fluoro-4-[4-[2-(1H-pyrazol-5-yl)acetyl]phenyl]phenyl]-N-methylpropanamide (PubChem CID 167695165) has the molecular formula C84H80Cl3FN12O10 and a molecular weight of 1542.99 g/mol. Its IUPAC name is N-[3-chloro-4-[5-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]-2-pyridinyl]phenyl]-N-methylpropanamide;N-[3-chloro-4-[6-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]-3-pyridinyl]phenyl]-N-methylpropanamide;N-[2-chloro-4-[4-[2-(1H-pyrazol-5-yl)acetyl]phenyl]phenyl]-N-methylpropanamide;N-[2-fluoro-4-[4-[2-(1H-pyrazol-5-yl)acetyl]phenyl]phenyl]-N-methylpropanamide.

Molecular Properties

Compound NameN-[3-chloro-4-[5-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]-2-pyridinyl]phenyl]-N-methylpropanamide;N-[3-chloro-4-[6-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]-3-pyridinyl]phenyl]-N-methylpropanamide;N-[2-chloro-4-[4-[2-(1H-pyrazol-5-yl)acetyl]phenyl]phenyl]-N-methylpropanamide;N-[2-fluoro-4-[4-[2-(1H-pyrazol-5-yl)acetyl]phenyl]phenyl]-N-methylpropanamide
PubChem CID167695165
Molecular FormulaC84H80Cl3FN12O10
Molecular Weight1542.99 g/mol
Exact Mass1540.52
IUPAC NameN-[3-chloro-4-[5-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]-2-pyridinyl]phenyl]-N-methylpropanamide;N-[3-chloro-4-[6-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]-3-pyridinyl]phenyl]-N-methylpropanamide;N-[2-chloro-4-[4-[2-(1H-pyrazol-5-yl)acetyl]phenyl]phenyl]-N-methylpropanamide;N-[2-fluoro-4-[4-[2-(1H-pyrazol-5-yl)acetyl]phenyl]phenyl]-N-methylpropanamide
SMILESCCC(=O)N(C)c1ccc(-c2ccc(C(=O)Cc3cc(C)no3)cn2)c(Cl)c1.CCC(=O)N(C)c1ccc(-c2ccc(C(=O)Cc3cc(C)no3)nc2)c(Cl)c1.CCC(=O)N(C)c1ccc(-c2ccc(C(=O)Cc3ccn[nH]3)cc2)cc1Cl.CCC(=O)N(C)c1ccc(-c2ccc(C(=O)Cc3ccn[nH]3)cc2)cc1F
InChIInChI=1S/2C21H20ClN3O3.C21H20ClN3O2.C21H20FN3O2/c1-4-21(27)25(3)15-6-7-17(18(22)10-15)19-8-5-14(12-23-19)20(26)11-16-9-13(2)24-28-16;1-4-21(27)25(3)15-6-7-17(18(22)10-15)14-5-8-19(23-12-14)20(26)11-16-9-13(2)24-28-16;2*1-3-21(27)25(2)19-9-8-16(12-18(19)22)14-4-6-15(7-5-14)20(26)13-17-10-11-23-24-17/h2*5-10,12H,4,11H2,1-3H3;2*4-12H,3,13H2,1-2H3,(H,23,24)
InChIKeyXNSOXQXTGWKTMI-UHFFFAOYSA-N
XLogP17.54
TPSA284.72 Ų
H-Bond Donors2
H-Bond Acceptors16
Rotatable Bonds24
Heavy Atoms110
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001542.99
LogP ≤ 517.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1016

Analyze N-[3-chloro-4-[5-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]-2-pyridinyl]phenyl]-N-methylpropanamide;N-[3-chloro-4-[6-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]-3-pyridinyl]phenyl]-N-methylpropanamide;N-[2-chloro-4-[4-[2-(1H-pyrazol-5-yl)acetyl]phenyl]phenyl]-N-methylpropanamide;N-[2-fluoro-4-[4-[2-(1H-pyrazol-5-yl)acetyl]phenyl]phenyl]-N-methylpropanamide with MolForge

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Related Compounds

1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-[2-chloro-4-(1H-pyrazol-5-yl)phenyl]ethane-1,2-dione;1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-3-pyridinyl]ethane-1,2-dione;1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-(2-methyl-4-pyrazol-1-ylphenyl)ethane-1,2-dione;1-(4-benzoyl-2-methylpiperazin-1-yl)-2-[4-(1-methylpyrazol-4-yl)phenyl]ethane-1,2-dione;1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-(4-pyridin-3-ylphenyl)ethane-1,2-dione;1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-(5-pyridin-3-yl-1H-pyrrol-3-yl)ethane-1,2-dione;1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-[4-(2H-pyrrol-2-yl)phenyl]ethane-1,2-dione
CID 158516971
N-[2-chloro-4-[4-[2-(5-methyl-1,2-oxazol-4-yl)acetyl]phenyl]phenyl]-N-methylpropanamide;N-[3-chloro-4-[5-[2-(5-methyl-1,3-oxazol-2-yl)acetyl]-2-pyridinyl]phenyl]-N-methylpropanamide;N-[3-chloro-4-[6-[2-(5-methyl-1,3-oxazol-2-yl)acetyl]-3-pyridinyl]phenyl]-N-methylpropanamide;N-[2-fluoro-4-[4-[2-(5-methyl-1,2-oxazol-4-yl)acetyl]phenyl]phenyl]-N-methylpropanamide
CID 167572176
N-[2-chloro-4-[5-[2-(5-methyl-1,2-oxazol-4-yl)acetyl]-2-pyridinyl]phenyl]-N-methylpropanamide;N-[2-chloro-4-[6-[2-(5-methyl-1,2-oxazol-4-yl)acetyl]-3-pyridinyl]phenyl]-N-methylpropanamide;N-[3-fluoro-4-[4-[2-(5-methyl-1,2-oxazol-4-yl)acetyl]phenyl]phenyl]-N-methylpropanamide;N-[2-fluoro-4-[6-[2-(5-methyl-1,2-oxazol-4-yl)acetyl]-3-pyridinyl]phenyl]-N-methylpropanamide
CID 167583916
N-[3-chloro-4-[4-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]phenyl]phenyl]-N-methylpropanamide;N-[2-chloro-4-[6-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]-3-pyridinyl]phenyl]-N-methylpropanamide;N-[3-fluoro-4-[4-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]phenyl]phenyl]-N-methylpropanamide;N-methyl-N-[3-methyl-4-[4-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]phenyl]phenyl]propanamide
CID 167593699
N-[2-chloro-4-[5-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]-2-pyridinyl]phenyl]-N-methylpropanamide;N-[2-fluoro-4-[5-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]-2-pyridinyl]phenyl]-N-methylpropanamide;N-[2-fluoro-4-[6-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]-3-pyridinyl]phenyl]-N-methylpropanamide;N-methyl-N-[2-methyl-4-[6-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]-3-pyridinyl]phenyl]propanamide
CID 167604795
N-[2-chloro-4-[4-[2-(1-methylpyrazol-4-yl)acetyl]phenyl]phenyl]-N-methylpropanamide;N-[3-chloro-4-[5-[2-(1-methylpyrazol-3-yl)acetyl]-2-pyridinyl]phenyl]-N-methylpropanamide;N-[3-chloro-4-[6-[2-(1-methylpyrazol-3-yl)acetyl]-3-pyridinyl]phenyl]-N-methylpropanamide;N-[2-fluoro-4-[4-[2-(1-methylpyrazol-4-yl)acetyl]phenyl]phenyl]-N-methylpropanamide
CID 167667264
N-[2-chloro-4-[4-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]phenyl]phenyl]-N-methylpropanamide;N-[2-fluoro-4-[4-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]phenyl]phenyl]-N-methylpropanamide;N-methyl-N-[2-methyl-4-[4-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]phenyl]phenyl]propanamide;N-methyl-N-[2-methyl-4-[5-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]-2-pyridinyl]phenyl]propanamide
CID 167672514
N-[2-chloro-4-[5-[2-(1H-pyrazol-5-yl)acetyl]-2-pyridinyl]phenyl]-N-methylpropanamide;N-[2-chloro-4-[6-[2-(1H-pyrazol-5-yl)acetyl]-3-pyridinyl]phenyl]-N-methylpropanamide;N-[3-fluoro-4-[4-[2-(1H-pyrazol-5-yl)acetyl]phenyl]phenyl]-N-methylpropanamide;N-[2-fluoro-4-[6-[2-(1H-pyrazol-5-yl)acetyl]-3-pyridinyl]phenyl]-N-methylpropanamide
CID 167701671

Frequently Asked Questions

What is the IUPAC name of N-[3-chloro-4-[5-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]-2-pyridinyl]phenyl]-N-methylpropanamide;N-[3-chloro-4-[6-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]-3-pyridinyl]phenyl]-N-methylpropanamide;N-[2-chloro-4-[4-[2-(1H-pyrazol-5-yl)acetyl]phenyl]phenyl]-N-methylpropanamide;N-[2-fluoro-4-[4-[2-(1H-pyrazol-5-yl)acetyl]phenyl]phenyl]-N-methylpropanamide?
The IUPAC name of N-[3-chloro-4-[5-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]-2-pyridinyl]phenyl]-N-methylpropanamide;N-[3-chloro-4-[6-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]-3-pyridinyl]phenyl]-N-methylpropanamide;N-[2-chloro-4-[4-[2-(1H-pyrazol-5-yl)acetyl]phenyl]phenyl]-N-methylpropanamide;N-[2-fluoro-4-[4-[2-(1H-pyrazol-5-yl)acetyl]phenyl]phenyl]-N-methylpropanamide (CID 167695165) is N-[3-chloro-4-[5-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]-2-pyridinyl]phenyl]-N-methylpropanamide;N-[3-chloro-4-[6-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]-3-pyridinyl]phenyl]-N-methylpropanamide;N-[2-chloro-4-[4-[2-(1H-pyrazol-5-yl)acetyl]phenyl]phenyl]-N-methylpropanamide;N-[2-fluoro-4-[4-[2-(1H-pyrazol-5-yl)acetyl]phenyl]phenyl]-N-methylpropanamide.
What is the SMILES notation for N-[3-chloro-4-[5-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]-2-pyridinyl]phenyl]-N-methylpropanamide;N-[3-chloro-4-[6-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]-3-pyridinyl]phenyl]-N-methylpropanamide;N-[2-chloro-4-[4-[2-(1H-pyrazol-5-yl)acetyl]phenyl]phenyl]-N-methylpropanamide;N-[2-fluoro-4-[4-[2-(1H-pyrazol-5-yl)acetyl]phenyl]phenyl]-N-methylpropanamide?
The canonical SMILES for N-[3-chloro-4-[5-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]-2-pyridinyl]phenyl]-N-methylpropanamide;N-[3-chloro-4-[6-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]-3-pyridinyl]phenyl]-N-methylpropanamide;N-[2-chloro-4-[4-[2-(1H-pyrazol-5-yl)acetyl]phenyl]phenyl]-N-methylpropanamide;N-[2-fluoro-4-[4-[2-(1H-pyrazol-5-yl)acetyl]phenyl]phenyl]-N-methylpropanamide is CCC(=O)N(C)c1ccc(-c2ccc(C(=O)Cc3cc(C)no3)cn2)c(Cl)c1.CCC(=O)N(C)c1ccc(-c2ccc(C(=O)Cc3cc(C)no3)nc2)c(Cl)c1.CCC(=O)N(C)c1ccc(-c2ccc(C(=O)Cc3ccn[nH]3)cc2)cc1Cl.CCC(=O)N(C)c1ccc(-c2ccc(C(=O)Cc3ccn[nH]3)cc2)cc1F.
What is the InChIKey of N-[3-chloro-4-[5-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]-2-pyridinyl]phenyl]-N-methylpropanamide;N-[3-chloro-4-[6-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]-3-pyridinyl]phenyl]-N-methylpropanamide;N-[2-chloro-4-[4-[2-(1H-pyrazol-5-yl)acetyl]phenyl]phenyl]-N-methylpropanamide;N-[2-fluoro-4-[4-[2-(1H-pyrazol-5-yl)acetyl]phenyl]phenyl]-N-methylpropanamide?
The InChIKey is XNSOXQXTGWKTMI-UHFFFAOYSA-N. The full InChI is InChI=1S/2C21H20ClN3O3.C21H20ClN3O2.C21H20FN3O2/c1-4-21(27)25(3)15-6-7-17(18(22)10-15)19-8-5-14(12-23-19)20(26)11-16-9-13(2)24-28-16;1-4-21(27)25(3)15-6-7-17(18(22)10-15)14-5-8-19(23-12-14)20(26)11-16-9-13(2)24-28-16;2*1-3-21(27)25(2)19-9-8-16(12-18(19)22)14-4-6-15(7-5-14)20(26)13-17-10-11-23-24-17/h2*5-10,12H,4,11H2,1-3H3;2*4-12H,3,13H2,1-2H3,(H,23,24).
What are the key properties of N-[3-chloro-4-[5-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]-2-pyridinyl]phenyl]-N-methylpropanamide;N-[3-chloro-4-[6-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]-3-pyridinyl]phenyl]-N-methylpropanamide;N-[2-chloro-4-[4-[2-(1H-pyrazol-5-yl)acetyl]phenyl]phenyl]-N-methylpropanamide;N-[2-fluoro-4-[4-[2-(1H-pyrazol-5-yl)acetyl]phenyl]phenyl]-N-methylpropanamide?
N-[3-chloro-4-[5-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]-2-pyridinyl]phenyl]-N-methylpropanamide;N-[3-chloro-4-[6-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]-3-pyridinyl]phenyl]-N-methylpropanamide;N-[2-chloro-4-[4-[2-(1H-pyrazol-5-yl)acetyl]phenyl]phenyl]-N-methylpropanamide;N-[2-fluoro-4-[4-[2-(1H-pyrazol-5-yl)acetyl]phenyl]phenyl]-N-methylpropanamide has a molecular weight of 1542.99 g/mol, XLogP of 17.54, 24 rotatable bonds, 2 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-chloro-4-[5-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]-2-pyridinyl]phenyl]-N-methylpropanamide;N-[3-chloro-4-[6-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]-3-pyridinyl]phenyl]-N-methylpropanamide;N-[2-chloro-4-[4-[2-(1H-pyrazol-5-yl)acetyl]phenyl]phenyl]-N-methylpropanamide;N-[2-fluoro-4-[4-[2-(1H-pyrazol-5-yl)acetyl]phenyl]phenyl]-N-methylpropanamide is sourced from PubChem (CID 167695165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).