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

C25H22FN3O2 — CID 140544107

IUPACN-[4-(3,4-dimethyl-2-pyridinyl)-3-(4-fluorophenyl)-1,2-oxazol-5-yl]-3-phenylpropanamide
SMILESCc1ccnc(-c2c(-c3ccc(F)cc3)noc2NC(=O)CCc2ccccc2)c1C
InChIInChI=1S/C25H22FN3O2/c1-16-14-15-27-23(17(16)2)22-24(19-9-11-20(26)12-10-19)29-31-25(22)28-21(30)13-8-18-6-4-3-5-7-18/h3-7,9-12,14-15H,8,13H2,1-2H3,(H,28,30)
InChIKeyUWCHEPPHLKHQBL-UHFFFAOYSA-N
MW415.47 g/mol
LogP5.73
Rot. Bonds6

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

N-[4-(3,4-dimethyl-2-pyridinyl)-3-(4-fluorophenyl)-1,2-oxazol-5-yl]-3-phenylpropanamide (PubChem CID 140544107) has the molecular formula C25H22FN3O2 and a molecular weight of 415.47 g/mol. Its IUPAC name is N-[4-(3,4-dimethyl-2-pyridinyl)-3-(4-fluorophenyl)-1,2-oxazol-5-yl]-3-phenylpropanamide.

Molecular Properties

Compound NameN-[4-(3,4-dimethyl-2-pyridinyl)-3-(4-fluorophenyl)-1,2-oxazol-5-yl]-3-phenylpropanamide
PubChem CID140544107
Molecular FormulaC25H22FN3O2
Molecular Weight415.47 g/mol
Exact Mass415.17
IUPAC NameN-[4-(3,4-dimethyl-2-pyridinyl)-3-(4-fluorophenyl)-1,2-oxazol-5-yl]-3-phenylpropanamide
SMILESCc1ccnc(-c2c(-c3ccc(F)cc3)noc2NC(=O)CCc2ccccc2)c1C
InChIInChI=1S/C25H22FN3O2/c1-16-14-15-27-23(17(16)2)22-24(19-9-11-20(26)12-10-19)29-31-25(22)28-21(30)13-8-18-6-4-3-5-7-18/h3-7,9-12,14-15H,8,13H2,1-2H3,(H,28,30)
InChIKeyUWCHEPPHLKHQBL-UHFFFAOYSA-N
XLogP5.73
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.47
LogP ≤ 55.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[4-(3,4-dimethyl-2-pyridinyl)-3-(4-fluorophenyl)-1,2-oxazol-5-yl]-3-phenylpropanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[3-(4-fluorophenyl)-4-(3-methyl-2-pyridinyl)-1,2-oxazol-5-yl]-3-phenylpropanamide
CID 140544118
N-[4-(2-bromo-4-pyridinyl)-3-(4-fluorophenyl)-1,2-oxazol-5-yl]-2-phenylacetamide
CID 57465234
N-[3-(4-fluorophenyl)-4-(2-methoxypyrimidin-4-yl)-1,2-oxazol-5-yl]-2-phenylacetamide
CID 67195743
N-[3-(2-fluoro-5-methylphenyl)-4-pyridin-4-yl-1,2-oxazol-5-yl]-3-phenylpropanamide
CID 57417814
N-[3-(3-methylphenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]-3-phenylpropanamide
CID 67198280
5-(3-phenylpropanoylamino)-3-pyridin-4-yl-1,2-oxazole-4-carboxylic acid
CID 142773973
N-[3-[4-(aminomethyl)-3-fluorophenyl]-4-pyridin-4-yl-1,2-oxazol-5-yl]-3-phenylpropanamide
CID 174583821
N-[3-(1,3-benzodioxol-5-yl)-4-pyridin-4-yl-1,2-oxazol-5-yl]-3-phenylpropanamide
CID 69009789
N-[3-[5-(aminomethyl)-2-fluorophenyl]-4-pyridin-4-yl-1,2-oxazol-5-yl]-3-phenylpropanamide
CID 174568894
N-[5-(4-fluorophenyl)-4-methyl-1,3-thiazol-2-yl]-3-phenylpropanamide
CID 57415009
N-[2-[5-[[2-(2-chlorophenyl)acetyl]amino]-3-(4-fluorophenyl)-1,2-oxazol-4-yl]pyrimidin-4-yl]benzamide
CID 141253549
N-(4-fluoro-2-methylphenyl)-3-phenylpropanamide
CID 7751880

Frequently Asked Questions

What is the IUPAC name of N-[4-(3,4-dimethyl-2-pyridinyl)-3-(4-fluorophenyl)-1,2-oxazol-5-yl]-3-phenylpropanamide?
The IUPAC name of N-[4-(3,4-dimethyl-2-pyridinyl)-3-(4-fluorophenyl)-1,2-oxazol-5-yl]-3-phenylpropanamide (CID 140544107) is N-[4-(3,4-dimethyl-2-pyridinyl)-3-(4-fluorophenyl)-1,2-oxazol-5-yl]-3-phenylpropanamide.
What is the SMILES notation for N-[4-(3,4-dimethyl-2-pyridinyl)-3-(4-fluorophenyl)-1,2-oxazol-5-yl]-3-phenylpropanamide?
The canonical SMILES for N-[4-(3,4-dimethyl-2-pyridinyl)-3-(4-fluorophenyl)-1,2-oxazol-5-yl]-3-phenylpropanamide is Cc1ccnc(-c2c(-c3ccc(F)cc3)noc2NC(=O)CCc2ccccc2)c1C.
What is the InChIKey of N-[4-(3,4-dimethyl-2-pyridinyl)-3-(4-fluorophenyl)-1,2-oxazol-5-yl]-3-phenylpropanamide?
The InChIKey is UWCHEPPHLKHQBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22FN3O2/c1-16-14-15-27-23(17(16)2)22-24(19-9-11-20(26)12-10-19)29-31-25(22)28-21(30)13-8-18-6-4-3-5-7-18/h3-7,9-12,14-15H,8,13H2,1-2H3,(H,28,30).
What are the key properties of N-[4-(3,4-dimethyl-2-pyridinyl)-3-(4-fluorophenyl)-1,2-oxazol-5-yl]-3-phenylpropanamide?
N-[4-(3,4-dimethyl-2-pyridinyl)-3-(4-fluorophenyl)-1,2-oxazol-5-yl]-3-phenylpropanamide has a molecular weight of 415.47 g/mol, XLogP of 5.73, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3,4-dimethyl-2-pyridinyl)-3-(4-fluorophenyl)-1,2-oxazol-5-yl]-3-phenylpropanamide is sourced from PubChem (CID 140544107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).