N-[3-(4-chloro-2-fluorophenyl)-4-pyridin-4-yl-1,2-oxazol-5-yl]-N-phenylpropanamide

C23H17ClFN3O2 — CID 69009291

IUPACN-[3-(4-chloro-2-fluorophenyl)-4-pyridin-4-yl-1,2-oxazol-5-yl]-N-phenylpropanamide
SMILESCCC(=O)N(c1ccccc1)c1onc(-c2ccc(Cl)cc2F)c1-c1ccncc1
InChIInChI=1S/C23H17ClFN3O2/c1-2-20(29)28(17-6-4-3-5-7-17)23-21(15-10-12-26-13-11-15)22(27-30-23)18-9-8-16(24)14-19(18)25/h3-14H,2H2,1H3
InChIKeyWDWDQXQTRVYRAP-UHFFFAOYSA-N
MW421.86 g/mol
LogP6.27
Rot. Bonds5

About N-[3-(4-chloro-2-fluorophenyl)-4-pyridin-4-yl-1,2-oxazol-5-yl]-N-phenylpropanamide

N-[3-(4-chloro-2-fluorophenyl)-4-pyridin-4-yl-1,2-oxazol-5-yl]-N-phenylpropanamide (PubChem CID 69009291) has the molecular formula C23H17ClFN3O2 and a molecular weight of 421.86 g/mol. Its IUPAC name is N-[3-(4-chloro-2-fluorophenyl)-4-pyridin-4-yl-1,2-oxazol-5-yl]-N-phenylpropanamide.

Molecular Properties

Compound NameN-[3-(4-chloro-2-fluorophenyl)-4-pyridin-4-yl-1,2-oxazol-5-yl]-N-phenylpropanamide
PubChem CID69009291
Molecular FormulaC23H17ClFN3O2
Molecular Weight421.86 g/mol
Exact Mass421.10
IUPAC NameN-[3-(4-chloro-2-fluorophenyl)-4-pyridin-4-yl-1,2-oxazol-5-yl]-N-phenylpropanamide
SMILESCCC(=O)N(c1ccccc1)c1onc(-c2ccc(Cl)cc2F)c1-c1ccncc1
InChIInChI=1S/C23H17ClFN3O2/c1-2-20(29)28(17-6-4-3-5-7-17)23-21(15-10-12-26-13-11-15)22(27-30-23)18-9-8-16(24)14-19(18)25/h3-14H,2H2,1H3
InChIKeyWDWDQXQTRVYRAP-UHFFFAOYSA-N
XLogP6.27
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500421.86
LogP ≤ 56.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(4-chloro-3-fluorophenyl)-4-pyridin-4-yl-1,2-oxazol-5-yl]-N-phenylpropanamide
CID 69007371
N-[3-(2,4-dimethylphenyl)-4-pyridin-4-yl-1,2-oxazol-5-yl]-N-(2-methylphenyl)propanamide
CID 69008553
N-[3-(4-fluorophenyl)-4-pyridin-4-yl-1,2-oxazol-5-yl]-N-phenylethanethioamide
CID 139825880
3-(4-chloro-2-fluorophenyl)-4-phenyl-1,2-oxazol-5-amine
CID 43335730
N-(2-chlorophenyl)-N-[3-(2,3-dimethylphenyl)-4-pyridin-4-yl-1,2-oxazol-5-yl]acetamide
CID 69007145
N-[3-(3,5-dichlorophenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]-N-(2-fluorophenyl)acetamide
CID 67196567
N-[3-(2,4-difluorophenyl)-4-pyridin-4-yl-1,2-oxazol-5-yl]-2-phenylpropanamide
CID 69007405
2-(N-[3-(4-chlorophenyl)-4-phenyl-1,2-oxazol-5-yl]anilino)acetate
CID 102061545
3-(4-chloro-2,5-difluorophenyl)-4-pyridin-4-yl-1,2-oxazol-5-amine
CID 82772621
N-[3-(2-fluoro-5-methylphenyl)-4-pyridin-4-yl-1,2-oxazol-5-yl]-3-phenylpropanamide
CID 57417814
N-[3-(4-chlorophenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]-N-(3,5-difluorophenyl)acetamide
CID 67199795
1-[2-(4-chloro-2-fluorophenyl)-7-phenyl-3-pyridin-4-yl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]prop-2-en-1-one
CID 177001879

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-chloro-2-fluorophenyl)-4-pyridin-4-yl-1,2-oxazol-5-yl]-N-phenylpropanamide?
The IUPAC name of N-[3-(4-chloro-2-fluorophenyl)-4-pyridin-4-yl-1,2-oxazol-5-yl]-N-phenylpropanamide (CID 69009291) is N-[3-(4-chloro-2-fluorophenyl)-4-pyridin-4-yl-1,2-oxazol-5-yl]-N-phenylpropanamide.
What is the SMILES notation for N-[3-(4-chloro-2-fluorophenyl)-4-pyridin-4-yl-1,2-oxazol-5-yl]-N-phenylpropanamide?
The canonical SMILES for N-[3-(4-chloro-2-fluorophenyl)-4-pyridin-4-yl-1,2-oxazol-5-yl]-N-phenylpropanamide is CCC(=O)N(c1ccccc1)c1onc(-c2ccc(Cl)cc2F)c1-c1ccncc1.
What is the InChIKey of N-[3-(4-chloro-2-fluorophenyl)-4-pyridin-4-yl-1,2-oxazol-5-yl]-N-phenylpropanamide?
The InChIKey is WDWDQXQTRVYRAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17ClFN3O2/c1-2-20(29)28(17-6-4-3-5-7-17)23-21(15-10-12-26-13-11-15)22(27-30-23)18-9-8-16(24)14-19(18)25/h3-14H,2H2,1H3.
What are the key properties of N-[3-(4-chloro-2-fluorophenyl)-4-pyridin-4-yl-1,2-oxazol-5-yl]-N-phenylpropanamide?
N-[3-(4-chloro-2-fluorophenyl)-4-pyridin-4-yl-1,2-oxazol-5-yl]-N-phenylpropanamide has a molecular weight of 421.86 g/mol, XLogP of 6.27, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-chloro-2-fluorophenyl)-4-pyridin-4-yl-1,2-oxazol-5-yl]-N-phenylpropanamide is sourced from PubChem (CID 69009291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).