N-[2-chloro-4-[6-[2-(1,3-oxazol-2-yl)acetyl]-3-pyridinyl]phenyl]-N-methylpropanamide

C20H18ClN3O3 — CID 167703189

IUPACN-[2-chloro-4-[6-[2-(1,3-oxazol-2-yl)acetyl]-3-pyridinyl]phenyl]-N-methylpropanamide
SMILESCCC(=O)N(C)c1ccc(-c2ccc(C(=O)Cc3ncco3)nc2)cc1Cl
InChIInChI=1S/C20H18ClN3O3/c1-3-20(26)24(2)17-7-5-13(10-15(17)21)14-4-6-16(23-12-14)18(25)11-19-22-8-9-27-19/h4-10,12H,3,11H2,1-2H3
InChIKeyPTPWJFIDMFLWOI-UHFFFAOYSA-N
MW383.84 g/mol
LogP4.19
Rot. Bonds6

About N-[2-chloro-4-[6-[2-(1,3-oxazol-2-yl)acetyl]-3-pyridinyl]phenyl]-N-methylpropanamide

N-[2-chloro-4-[6-[2-(1,3-oxazol-2-yl)acetyl]-3-pyridinyl]phenyl]-N-methylpropanamide (PubChem CID 167703189) has the molecular formula C20H18ClN3O3 and a molecular weight of 383.84 g/mol. Its IUPAC name is N-[2-chloro-4-[6-[2-(1,3-oxazol-2-yl)acetyl]-3-pyridinyl]phenyl]-N-methylpropanamide.

Molecular Properties

Compound NameN-[2-chloro-4-[6-[2-(1,3-oxazol-2-yl)acetyl]-3-pyridinyl]phenyl]-N-methylpropanamide
PubChem CID167703189
Molecular FormulaC20H18ClN3O3
Molecular Weight383.84 g/mol
Exact Mass383.10
IUPAC NameN-[2-chloro-4-[6-[2-(1,3-oxazol-2-yl)acetyl]-3-pyridinyl]phenyl]-N-methylpropanamide
SMILESCCC(=O)N(C)c1ccc(-c2ccc(C(=O)Cc3ncco3)nc2)cc1Cl
InChIInChI=1S/C20H18ClN3O3/c1-3-20(26)24(2)17-7-5-13(10-15(17)21)14-4-6-16(23-12-14)18(25)11-19-22-8-9-27-19/h4-10,12H,3,11H2,1-2H3
InChIKeyPTPWJFIDMFLWOI-UHFFFAOYSA-N
XLogP4.19
TPSA76.30 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.84
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-chloro-4-[6-[2-(1-methylpyrazol-4-yl)acetyl]-3-pyridinyl]phenyl]-N-methylpropanamide
CID 167596989
N-methyl-N-[3-methyl-4-[6-[2-(1,3-oxazol-2-yl)acetyl]-3-pyridinyl]phenyl]propanamide
CID 167659057
N-[2-chloro-4-[6-[3-(6-fluoro-3-pyridinyl)propanoyl]-3-pyridinyl]phenyl]-N-methylpropanamide
CID 167638558
N-[2-chloro-4-[6-[3-(6-fluoro-2-methyl-3-pyridinyl)propanoyl]-3-pyridinyl]phenyl]-N-methylpropanamide
CID 167705958
N-[2-chloro-4-[5-[2-(1-methylpyrazol-3-yl)acetyl]-2-pyridinyl]phenyl]-N-methylpropanamide;N-[2-fluoro-4-[5-[2-(1-methylpyrazol-3-yl)acetyl]-2-pyridinyl]phenyl]-N-methylpropanamide;N-[2-fluoro-4-[6-[2-(1-methylpyrazol-3-yl)acetyl]-3-pyridinyl]phenyl]-N-methylpropanamide;N-methyl-N-[2-methyl-4-[6-[2-(1-methylpyrazol-3-yl)acetyl]-3-pyridinyl]phenyl]propanamide
CID 167546210
N-[2,3-difluoro-4-[6-[3-(2-fluoro-3-pyridinyl)propanoyl]-3-pyridinyl]phenyl]-N-methylpropanamide
CID 167701771
N-(2-chloro-4-cyanophenyl)-N-methylpropanamide
CID 44597129
N-[3-chloro-4-[6-[3-(2-chloro-3-pyridinyl)propanoyl]-3-pyridinyl]phenyl]-N-methylpropanamide
CID 167574705
N-[2-fluoro-4-[5-[2-(5-methyl-1,2-oxazol-4-yl)acetyl]-2-pyridinyl]phenyl]-N-methylpropanamide;N-methyl-N-[2-methyl-4-[4-[2-(5-methyl-1,2-oxazol-4-yl)acetyl]phenyl]phenyl]propanamide;N-methyl-N-[2-methyl-4-[5-[2-(5-methyl-1,2-oxazol-4-yl)acetyl]-2-pyridinyl]phenyl]propanamide;N-methyl-N-[2-methyl-4-[6-[2-(5-methyl-1,2-oxazol-4-yl)acetyl]-3-pyridinyl]phenyl]propanamide
CID 167616106
N-[4-[5-[3-(2-amino-3-pyridinyl)propanoyl]-2-pyridinyl]-2-chlorophenyl]-N-methylpropanamide;N-[2-chloro-4-[5-[3-(2-chloro-3-pyridinyl)propanoyl]-2-pyridinyl]phenyl]-N-methylpropanamide;N-[2-chloro-4-[5-[3-(2-fluoro-3-pyridinyl)propanoyl]-2-pyridinyl]phenyl]-N-methylpropanamide;N-[2-chloro-4-[5-[3-(2-methyl-3-pyridinyl)propanoyl]-2-pyridinyl]phenyl]-N-methylpropanamide
CID 167688608
N-[4-[5-[3-(2,6-difluoro-3-pyridinyl)propanoyl]-2-pyridinyl]-2-fluorophenyl]-N-methylpropanamide;N-[2-fluoro-4-[5-[3-(6-fluoro-2-methyl-3-pyridinyl)propanoyl]-2-pyridinyl]phenyl]-N-methylpropanamide;N-[2-fluoro-4-[6-[3-(2-methyl-3-pyridinyl)propanoyl]-3-pyridinyl]phenyl]-N-methylpropanamide
CID 167662284
N-[4-[3-chloro-4-[3-(6-fluoro-2-methyl-3-pyridinyl)propanoyl]phenyl]-2-fluorophenyl]-N-methylpropanamide
CID 167558203

Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-4-[6-[2-(1,3-oxazol-2-yl)acetyl]-3-pyridinyl]phenyl]-N-methylpropanamide?
The IUPAC name of N-[2-chloro-4-[6-[2-(1,3-oxazol-2-yl)acetyl]-3-pyridinyl]phenyl]-N-methylpropanamide (CID 167703189) is N-[2-chloro-4-[6-[2-(1,3-oxazol-2-yl)acetyl]-3-pyridinyl]phenyl]-N-methylpropanamide.
What is the SMILES notation for N-[2-chloro-4-[6-[2-(1,3-oxazol-2-yl)acetyl]-3-pyridinyl]phenyl]-N-methylpropanamide?
The canonical SMILES for N-[2-chloro-4-[6-[2-(1,3-oxazol-2-yl)acetyl]-3-pyridinyl]phenyl]-N-methylpropanamide is CCC(=O)N(C)c1ccc(-c2ccc(C(=O)Cc3ncco3)nc2)cc1Cl.
What is the InChIKey of N-[2-chloro-4-[6-[2-(1,3-oxazol-2-yl)acetyl]-3-pyridinyl]phenyl]-N-methylpropanamide?
The InChIKey is PTPWJFIDMFLWOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClN3O3/c1-3-20(26)24(2)17-7-5-13(10-15(17)21)14-4-6-16(23-12-14)18(25)11-19-22-8-9-27-19/h4-10,12H,3,11H2,1-2H3.
What are the key properties of N-[2-chloro-4-[6-[2-(1,3-oxazol-2-yl)acetyl]-3-pyridinyl]phenyl]-N-methylpropanamide?
N-[2-chloro-4-[6-[2-(1,3-oxazol-2-yl)acetyl]-3-pyridinyl]phenyl]-N-methylpropanamide has a molecular weight of 383.84 g/mol, XLogP of 4.19, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-chloro-4-[6-[2-(1,3-oxazol-2-yl)acetyl]-3-pyridinyl]phenyl]-N-methylpropanamide is sourced from PubChem (CID 167703189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).