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

C23H17F2N3O2 — CID 69007405

IUPACN-[3-(2,4-difluorophenyl)-4-pyridin-4-yl-1,2-oxazol-5-yl]-2-phenylpropanamide
SMILESCC(C(=O)Nc1onc(-c2ccc(F)cc2F)c1-c1ccncc1)c1ccccc1
InChIInChI=1S/C23H17F2N3O2/c1-14(15-5-3-2-4-6-15)22(29)27-23-20(16-9-11-26-12-10-16)21(28-30-23)18-8-7-17(24)13-19(18)25/h2-14H,1H3,(H,27,29)
InChIKeyVTXHOSIDOQKSKN-UHFFFAOYSA-N
MW405.40 g/mol
LogP5.42
Rot. Bonds5

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

N-[3-(2,4-difluorophenyl)-4-pyridin-4-yl-1,2-oxazol-5-yl]-2-phenylpropanamide (PubChem CID 69007405) has the molecular formula C23H17F2N3O2 and a molecular weight of 405.40 g/mol. Its IUPAC name is N-[3-(2,4-difluorophenyl)-4-pyridin-4-yl-1,2-oxazol-5-yl]-2-phenylpropanamide.

Molecular Properties

Compound NameN-[3-(2,4-difluorophenyl)-4-pyridin-4-yl-1,2-oxazol-5-yl]-2-phenylpropanamide
PubChem CID69007405
Molecular FormulaC23H17F2N3O2
Molecular Weight405.40 g/mol
Exact Mass405.13
IUPAC NameN-[3-(2,4-difluorophenyl)-4-pyridin-4-yl-1,2-oxazol-5-yl]-2-phenylpropanamide
SMILESCC(C(=O)Nc1onc(-c2ccc(F)cc2F)c1-c1ccncc1)c1ccccc1
InChIInChI=1S/C23H17F2N3O2/c1-14(15-5-3-2-4-6-15)22(29)27-23-20(16-9-11-26-12-10-16)21(28-30-23)18-8-7-17(24)13-19(18)25/h2-14H,1H3,(H,27,29)
InChIKeyVTXHOSIDOQKSKN-UHFFFAOYSA-N
XLogP5.42
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.40
LogP ≤ 55.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(2-aminopyrimidin-4-yl)-3-(4-fluorophenyl)-1,2-oxazol-5-yl]-2-phenylpropanamide
CID 67197458
2-(2-chlorophenyl)-N-[3-(2,3-dimethylphenyl)-4-pyridin-4-yl-1,2-oxazol-5-yl]propanamide
CID 69008115
2-(2,4-difluorophenyl)-N-[3-(2,4-difluorophenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]acetamide
CID 67195580
N-[3-(2-fluoro-5-methylphenyl)-4-pyridin-4-yl-1,2-oxazol-5-yl]-3-phenylpropanamide
CID 57417814
N-[3-[5-(aminomethyl)-2-fluorophenyl]-4-pyridin-4-yl-1,2-oxazol-5-yl]-3-phenylpropanamide
CID 174568894
(2R)-N-(3-fluorophenyl)-2-phenylpropanamide
CID 97038180
N-(3-fluorophenyl)-2-phenylpropanamide
CID 70678315
2-(2-aminophenyl)-N-[3-(4-fluoro-3-methylphenyl)-4-pyridin-4-yl-1,2-oxazol-5-yl]acetamide
CID 57417708
N-(4-fluorophenyl)-2-phenylpropanamide
CID 2940269
N-[3-[4-fluoro-3-(trifluoromethyl)phenyl]-4-pyridin-4-yl-1,2-oxazol-5-yl]-2-phenylacetamide
CID 57417861
N-[3-(4-chloro-2-fluorophenyl)-4-pyridin-4-yl-1,2-oxazol-5-yl]-N-phenylpropanamide
CID 69009291
N-[3-(2-fluoro-4-methoxyphenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]-2-(2-methylphenyl)acetamide
CID 67198100

Frequently Asked Questions

What is the IUPAC name of N-[3-(2,4-difluorophenyl)-4-pyridin-4-yl-1,2-oxazol-5-yl]-2-phenylpropanamide?
The IUPAC name of N-[3-(2,4-difluorophenyl)-4-pyridin-4-yl-1,2-oxazol-5-yl]-2-phenylpropanamide (CID 69007405) is N-[3-(2,4-difluorophenyl)-4-pyridin-4-yl-1,2-oxazol-5-yl]-2-phenylpropanamide.
What is the SMILES notation for N-[3-(2,4-difluorophenyl)-4-pyridin-4-yl-1,2-oxazol-5-yl]-2-phenylpropanamide?
The canonical SMILES for N-[3-(2,4-difluorophenyl)-4-pyridin-4-yl-1,2-oxazol-5-yl]-2-phenylpropanamide is CC(C(=O)Nc1onc(-c2ccc(F)cc2F)c1-c1ccncc1)c1ccccc1.
What is the InChIKey of N-[3-(2,4-difluorophenyl)-4-pyridin-4-yl-1,2-oxazol-5-yl]-2-phenylpropanamide?
The InChIKey is VTXHOSIDOQKSKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17F2N3O2/c1-14(15-5-3-2-4-6-15)22(29)27-23-20(16-9-11-26-12-10-16)21(28-30-23)18-8-7-17(24)13-19(18)25/h2-14H,1H3,(H,27,29).
What are the key properties of N-[3-(2,4-difluorophenyl)-4-pyridin-4-yl-1,2-oxazol-5-yl]-2-phenylpropanamide?
N-[3-(2,4-difluorophenyl)-4-pyridin-4-yl-1,2-oxazol-5-yl]-2-phenylpropanamide has a molecular weight of 405.40 g/mol, XLogP of 5.42, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2,4-difluorophenyl)-4-pyridin-4-yl-1,2-oxazol-5-yl]-2-phenylpropanamide is sourced from PubChem (CID 69007405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).