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

C24H20FN3O2 — CID 57417814

IUPACN-[3-(2-fluoro-5-methylphenyl)-4-pyridin-4-yl-1,2-oxazol-5-yl]-3-phenylpropanamide
SMILESCc1ccc(F)c(-c2noc(NC(=O)CCc3ccccc3)c2-c2ccncc2)c1
InChIInChI=1S/C24H20FN3O2/c1-16-7-9-20(25)19(15-16)23-22(18-11-13-26-14-12-18)24(30-28-23)27-21(29)10-8-17-5-3-2-4-6-17/h2-7,9,11-15H,8,10H2,1H3,(H,27,29)
InChIKeyYOTSOLZDEOKJCN-UHFFFAOYSA-N
MW401.44 g/mol
LogP5.42
Rot. Bonds6

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

N-[3-(2-fluoro-5-methylphenyl)-4-pyridin-4-yl-1,2-oxazol-5-yl]-3-phenylpropanamide (PubChem CID 57417814) has the molecular formula C24H20FN3O2 and a molecular weight of 401.44 g/mol. Its IUPAC name is N-[3-(2-fluoro-5-methylphenyl)-4-pyridin-4-yl-1,2-oxazol-5-yl]-3-phenylpropanamide.

Molecular Properties

Compound NameN-[3-(2-fluoro-5-methylphenyl)-4-pyridin-4-yl-1,2-oxazol-5-yl]-3-phenylpropanamide
PubChem CID57417814
Molecular FormulaC24H20FN3O2
Molecular Weight401.44 g/mol
Exact Mass401.15
IUPAC NameN-[3-(2-fluoro-5-methylphenyl)-4-pyridin-4-yl-1,2-oxazol-5-yl]-3-phenylpropanamide
SMILESCc1ccc(F)c(-c2noc(NC(=O)CCc3ccccc3)c2-c2ccncc2)c1
InChIInChI=1S/C24H20FN3O2/c1-16-7-9-20(25)19(15-16)23-22(18-11-13-26-14-12-18)24(30-28-23)27-21(29)10-8-17-5-3-2-4-6-17/h2-7,9,11-15H,8,10H2,1H3,(H,27,29)
InChIKeyYOTSOLZDEOKJCN-UHFFFAOYSA-N
XLogP5.42
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.44
LogP ≤ 55.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-[5-(aminomethyl)-2-fluorophenyl]-4-pyridin-4-yl-1,2-oxazol-5-yl]-3-phenylpropanamide
CID 174568894
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
5-(3-phenylpropanoylamino)-3-pyridin-4-yl-1,2-oxazole-4-carboxylic acid
CID 142773973
N-[3-(3-methylphenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]-3-phenylpropanamide
CID 67198280
N-[3-[4-fluoro-3-(trifluoromethyl)phenyl]-4-pyridin-4-yl-1,2-oxazol-5-yl]-2-phenylacetamide
CID 57417861
N-[3-(4-fluorophenyl)-4-(3-methyl-2-pyridinyl)-1,2-oxazol-5-yl]-3-phenylpropanamide
CID 140544118
N-[4-(3,4-dimethyl-2-pyridinyl)-3-(4-fluorophenyl)-1,2-oxazol-5-yl]-3-phenylpropanamide
CID 140544107
2-(2-aminophenyl)-N-[3-(4-fluoro-3-methylphenyl)-4-pyridin-4-yl-1,2-oxazol-5-yl]acetamide
CID 57417708
N-[3-(2,6-dimethoxyphenyl)-4-pyridin-4-yl-1,2-oxazol-5-yl]-2-phenylacetamide
CID 57417789
N-[3-(2,4-difluorophenyl)-4-pyridin-4-yl-1,2-oxazol-5-yl]-2-phenylpropanamide
CID 69007405
2-(3-methylphenyl)-N-(3-phenyl-4-pyrimidin-4-yl-1,2-oxazol-5-yl)acetamide
CID 67200807

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-fluoro-5-methylphenyl)-4-pyridin-4-yl-1,2-oxazol-5-yl]-3-phenylpropanamide?
The IUPAC name of N-[3-(2-fluoro-5-methylphenyl)-4-pyridin-4-yl-1,2-oxazol-5-yl]-3-phenylpropanamide (CID 57417814) is N-[3-(2-fluoro-5-methylphenyl)-4-pyridin-4-yl-1,2-oxazol-5-yl]-3-phenylpropanamide.
What is the SMILES notation for N-[3-(2-fluoro-5-methylphenyl)-4-pyridin-4-yl-1,2-oxazol-5-yl]-3-phenylpropanamide?
The canonical SMILES for N-[3-(2-fluoro-5-methylphenyl)-4-pyridin-4-yl-1,2-oxazol-5-yl]-3-phenylpropanamide is Cc1ccc(F)c(-c2noc(NC(=O)CCc3ccccc3)c2-c2ccncc2)c1.
What is the InChIKey of N-[3-(2-fluoro-5-methylphenyl)-4-pyridin-4-yl-1,2-oxazol-5-yl]-3-phenylpropanamide?
The InChIKey is YOTSOLZDEOKJCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20FN3O2/c1-16-7-9-20(25)19(15-16)23-22(18-11-13-26-14-12-18)24(30-28-23)27-21(29)10-8-17-5-3-2-4-6-17/h2-7,9,11-15H,8,10H2,1H3,(H,27,29).
What are the key properties of N-[3-(2-fluoro-5-methylphenyl)-4-pyridin-4-yl-1,2-oxazol-5-yl]-3-phenylpropanamide?
N-[3-(2-fluoro-5-methylphenyl)-4-pyridin-4-yl-1,2-oxazol-5-yl]-3-phenylpropanamide has a molecular weight of 401.44 g/mol, XLogP of 5.42, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-fluoro-5-methylphenyl)-4-pyridin-4-yl-1,2-oxazol-5-yl]-3-phenylpropanamide is sourced from PubChem (CID 57417814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).