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

C24H21FN4O2 — CID 174583821

IUPACN-[3-[4-(aminomethyl)-3-fluorophenyl]-4-pyridin-4-yl-1,2-oxazol-5-yl]-3-phenylpropanamide
SMILESNCc1ccc(-c2noc(NC(=O)CCc3ccccc3)c2-c2ccncc2)cc1F
InChIInChI=1S/C24H21FN4O2/c25-20-14-18(7-8-19(20)15-26)23-22(17-10-12-27-13-11-17)24(31-29-23)28-21(30)9-6-16-4-2-1-3-5-16/h1-5,7-8,10-14H,6,9,15,26H2,(H,28,30)
InChIKeyWIAUQYGGGQGPEW-UHFFFAOYSA-N
MW416.46 g/mol
LogP4.57
Rot. Bonds7

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

N-[3-[4-(aminomethyl)-3-fluorophenyl]-4-pyridin-4-yl-1,2-oxazol-5-yl]-3-phenylpropanamide (PubChem CID 174583821) has the molecular formula C24H21FN4O2 and a molecular weight of 416.46 g/mol. Its IUPAC name is N-[3-[4-(aminomethyl)-3-fluorophenyl]-4-pyridin-4-yl-1,2-oxazol-5-yl]-3-phenylpropanamide.

Molecular Properties

Compound NameN-[3-[4-(aminomethyl)-3-fluorophenyl]-4-pyridin-4-yl-1,2-oxazol-5-yl]-3-phenylpropanamide
PubChem CID174583821
Molecular FormulaC24H21FN4O2
Molecular Weight416.46 g/mol
Exact Mass416.16
IUPAC NameN-[3-[4-(aminomethyl)-3-fluorophenyl]-4-pyridin-4-yl-1,2-oxazol-5-yl]-3-phenylpropanamide
SMILESNCc1ccc(-c2noc(NC(=O)CCc3ccccc3)c2-c2ccncc2)cc1F
InChIInChI=1S/C24H21FN4O2/c25-20-14-18(7-8-19(20)15-26)23-22(17-10-12-27-13-11-17)24(31-29-23)28-21(30)9-6-16-4-2-1-3-5-16/h1-5,7-8,10-14H,6,9,15,26H2,(H,28,30)
InChIKeyWIAUQYGGGQGPEW-UHFFFAOYSA-N
XLogP4.57
TPSA94.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.46
LogP ≤ 54.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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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-(1,3-benzodioxol-5-yl)-4-pyridin-4-yl-1,2-oxazol-5-yl]-3-phenylpropanamide
CID 69009789
N-[3-(2-fluoro-5-methylphenyl)-4-pyridin-4-yl-1,2-oxazol-5-yl]-3-phenylpropanamide
CID 57417814
N-[3-[4-fluoro-3-(trifluoromethyl)phenyl]-4-pyridin-4-yl-1,2-oxazol-5-yl]-2-phenylacetamide
CID 57417861
5-(3-phenylpropanoylamino)-3-pyridin-4-yl-1,2-oxazole-4-carboxylic acid
CID 142773973
2-(2-aminophenyl)-N-[3-(4-fluoro-3-methylphenyl)-4-pyridin-4-yl-1,2-oxazol-5-yl]acetamide
CID 57417708
N-[3-(3-methylphenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]-3-phenylpropanamide
CID 67198280
N-[3-(4-fluorophenyl)-4-(3-methyl-2-pyridinyl)-1,2-oxazol-5-yl]-3-phenylpropanamide
CID 140544118
2-phenyl-N-[4-pyrimidin-4-yl-3-(3,4,5-trifluorophenyl)-1,2-oxazol-5-yl]acetamide
CID 67196351
N-[4-(3,4-dimethyl-2-pyridinyl)-3-(4-fluorophenyl)-1,2-oxazol-5-yl]-3-phenylpropanamide
CID 140544107
N-[4-(2-bromo-4-pyridinyl)-3-(4-fluorophenyl)-1,2-oxazol-5-yl]-2-phenylacetamide
CID 57465234
N-[3-(2,6-dimethoxyphenyl)-4-pyridin-4-yl-1,2-oxazol-5-yl]-2-phenylacetamide
CID 57417789

Frequently Asked Questions

What is the IUPAC name of N-[3-[4-(aminomethyl)-3-fluorophenyl]-4-pyridin-4-yl-1,2-oxazol-5-yl]-3-phenylpropanamide?
The IUPAC name of N-[3-[4-(aminomethyl)-3-fluorophenyl]-4-pyridin-4-yl-1,2-oxazol-5-yl]-3-phenylpropanamide (CID 174583821) is N-[3-[4-(aminomethyl)-3-fluorophenyl]-4-pyridin-4-yl-1,2-oxazol-5-yl]-3-phenylpropanamide.
What is the SMILES notation for N-[3-[4-(aminomethyl)-3-fluorophenyl]-4-pyridin-4-yl-1,2-oxazol-5-yl]-3-phenylpropanamide?
The canonical SMILES for N-[3-[4-(aminomethyl)-3-fluorophenyl]-4-pyridin-4-yl-1,2-oxazol-5-yl]-3-phenylpropanamide is NCc1ccc(-c2noc(NC(=O)CCc3ccccc3)c2-c2ccncc2)cc1F.
What is the InChIKey of N-[3-[4-(aminomethyl)-3-fluorophenyl]-4-pyridin-4-yl-1,2-oxazol-5-yl]-3-phenylpropanamide?
The InChIKey is WIAUQYGGGQGPEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21FN4O2/c25-20-14-18(7-8-19(20)15-26)23-22(17-10-12-27-13-11-17)24(31-29-23)28-21(30)9-6-16-4-2-1-3-5-16/h1-5,7-8,10-14H,6,9,15,26H2,(H,28,30).
What are the key properties of N-[3-[4-(aminomethyl)-3-fluorophenyl]-4-pyridin-4-yl-1,2-oxazol-5-yl]-3-phenylpropanamide?
N-[3-[4-(aminomethyl)-3-fluorophenyl]-4-pyridin-4-yl-1,2-oxazol-5-yl]-3-phenylpropanamide has a molecular weight of 416.46 g/mol, XLogP of 4.57, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-(aminomethyl)-3-fluorophenyl]-4-pyridin-4-yl-1,2-oxazol-5-yl]-3-phenylpropanamide is sourced from PubChem (CID 174583821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).