5-(acetamidomethyl)-N-(3-fluorophenyl)-1,2-oxazole-3-carboxamide

C13H12FN3O3 — CID 154766232

IUPAC5-(acetamidomethyl)-N-(3-fluorophenyl)-1,2-oxazole-3-carboxamide
SMILESCC(=O)NCc1cc(C(=O)Nc2cccc(F)c2)no1
InChIInChI=1S/C13H12FN3O3/c1-8(18)15-7-11-6-12(17-20-11)13(19)16-10-4-2-3-9(14)5-10/h2-6H,7H2,1H3,(H,15,18)(H,16,19)
InChIKeyTVOFSIGOIFBMOE-UHFFFAOYSA-N
MW277.25 g/mol
LogP1.70
Rot. Bonds4

About 5-(acetamidomethyl)-N-(3-fluorophenyl)-1,2-oxazole-3-carboxamide

5-(acetamidomethyl)-N-(3-fluorophenyl)-1,2-oxazole-3-carboxamide (PubChem CID 154766232) has the molecular formula C13H12FN3O3 and a molecular weight of 277.25 g/mol. Its IUPAC name is 5-(acetamidomethyl)-N-(3-fluorophenyl)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-(acetamidomethyl)-N-(3-fluorophenyl)-1,2-oxazole-3-carboxamide
PubChem CID154766232
Molecular FormulaC13H12FN3O3
Molecular Weight277.25 g/mol
Exact Mass277.09
IUPAC Name5-(acetamidomethyl)-N-(3-fluorophenyl)-1,2-oxazole-3-carboxamide
SMILESCC(=O)NCc1cc(C(=O)Nc2cccc(F)c2)no1
InChIInChI=1S/C13H12FN3O3/c1-8(18)15-7-11-6-12(17-20-11)13(19)16-10-4-2-3-9(14)5-10/h2-6H,7H2,1H3,(H,15,18)(H,16,19)
InChIKeyTVOFSIGOIFBMOE-UHFFFAOYSA-N
XLogP1.70
TPSA84.23 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.25
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-fluorophenyl)-5-(pyrrolidin-1-ylmethyl)-1,2-oxazole-3-carboxamide
CID 20950969
4-(acetamidomethyl)-N-(3-fluorophenyl)benzamide
CID 18194975
N-(3-fluorophenyl)-5-(morpholin-4-ylmethyl)-1,2-oxazole-3-carboxamide
CID 20950886
5-(3-chlorophenyl)-N-(3-fluorophenyl)-1,2-oxazole-3-carboxamide
CID 37341737
N-(3-fluorophenyl)-3-methyl-1,2-oxazole-5-carboxamide
CID 16606648
3-acetamido-N-(3-fluorophenyl)benzamide
CID 2443243
N-(2-acetamidoethyl)-N'-(3-fluorophenyl)oxamide
CID 47226155
5-ethyl-N-(3-fluorophenyl)furan-2-carboxamide
CID 110697812
6-N-(3-fluorophenyl)-2-N-[(4-fluorophenyl)methyl]pyridine-2,6-dicarboxamide
CID 109097871
5-(5-chlorothiophen-2-yl)-N-[2-(3-fluoroanilino)-2-oxoethyl]-1,2-oxazole-3-carboxamide
CID 49391141
5-methyl-N-[3-[(5-methyl-1,2-oxazole-3-carbonyl)amino]phenyl]-1,2-oxazole-3-carboxamide
CID 58725196
6-N-(3-fluorophenyl)-2-N-(2-methoxyethyl)pyridine-2,6-dicarboxamide
CID 109095785

Frequently Asked Questions

What is the IUPAC name of 5-(acetamidomethyl)-N-(3-fluorophenyl)-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-(acetamidomethyl)-N-(3-fluorophenyl)-1,2-oxazole-3-carboxamide (CID 154766232) is 5-(acetamidomethyl)-N-(3-fluorophenyl)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-(acetamidomethyl)-N-(3-fluorophenyl)-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-(acetamidomethyl)-N-(3-fluorophenyl)-1,2-oxazole-3-carboxamide is CC(=O)NCc1cc(C(=O)Nc2cccc(F)c2)no1.
What is the InChIKey of 5-(acetamidomethyl)-N-(3-fluorophenyl)-1,2-oxazole-3-carboxamide?
The InChIKey is TVOFSIGOIFBMOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12FN3O3/c1-8(18)15-7-11-6-12(17-20-11)13(19)16-10-4-2-3-9(14)5-10/h2-6H,7H2,1H3,(H,15,18)(H,16,19).
What are the key properties of 5-(acetamidomethyl)-N-(3-fluorophenyl)-1,2-oxazole-3-carboxamide?
5-(acetamidomethyl)-N-(3-fluorophenyl)-1,2-oxazole-3-carboxamide has a molecular weight of 277.25 g/mol, XLogP of 1.70, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(acetamidomethyl)-N-(3-fluorophenyl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 154766232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).