N-(2-fluorophenyl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide

C17H13FN2O2 — CID 868173

IUPACN-(2-fluorophenyl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
SMILESCc1onc(-c2ccccc2)c1C(=O)Nc1ccccc1F
InChIInChI=1S/C17H13FN2O2/c1-11-15(16(20-22-11)12-7-3-2-4-8-12)17(21)19-14-10-6-5-9-13(14)18/h2-10H,1H3,(H,19,21)
InChIKeyBRYOSIBNMINCGF-UHFFFAOYSA-N
MW296.30 g/mol
LogP4.04
Rot. Bonds3

About N-(2-fluorophenyl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide

N-(2-fluorophenyl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide (PubChem CID 868173) has the molecular formula C17H13FN2O2 and a molecular weight of 296.30 g/mol. Its IUPAC name is N-(2-fluorophenyl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-(2-fluorophenyl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
PubChem CID868173
Molecular FormulaC17H13FN2O2
Molecular Weight296.30 g/mol
Exact Mass296.10
IUPAC NameN-(2-fluorophenyl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
SMILESCc1onc(-c2ccccc2)c1C(=O)Nc1ccccc1F
InChIInChI=1S/C17H13FN2O2/c1-11-15(16(20-22-11)12-7-3-2-4-8-12)17(21)19-14-10-6-5-9-13(14)18/h2-10H,1H3,(H,19,21)
InChIKeyBRYOSIBNMINCGF-UHFFFAOYSA-N
XLogP4.04
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.30
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-methyl-3,6-diphenylisoxazolo[4,5-c]pyridin-4(5H)-one
CID 4250909
N-(4-fluorophenyl)-3-phenyl-1,2-oxazole-5-carboxamide
CID 2769315
5-methyl-3-phenyl-6-(p-[dimethylaminomethyl]phenyl)-isoxazolo[4,5-c]pyridin-4(5H)-one
CID 334509
3-(2-chlorophenyl)-N-[4-(diethylamino)phenyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 1221269
5-amino-N-(2-fluorophenyl)-3-methyl-1,2-oxazole-4-carboxamide
CID 1263600
3-(2-chloro-6-fluorophenyl)-N-(2-iodophenyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 1343287
3-methyl-N-(3-phenyl-1,2-oxazol-5-yl)benzamide
CID 16445174
3-(2-chlorophenyl)-5-methyl-N-[4-(propan-2-yl)phenyl]-1,2-oxazole-4-carboxamide
CID 1241573
5-methyl-3-phenyl-N-(2-propoxyphenyl)-1,2-oxazole-4-carboxamide
CID 2197808
5-methyl-3-phenyl-N-(3-propoxyphenyl)-4-isoxazolecarboxamide
CID 2260458
N-[3-(3,4-difluorophenyl)-1,2-oxazol-5-yl]-2-fluorobenzamide
CID 7711262
Cambridge id 5777587
CID 869900

Frequently Asked Questions

What is the IUPAC name of N-(2-fluorophenyl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide?
The IUPAC name of N-(2-fluorophenyl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide (CID 868173) is N-(2-fluorophenyl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for N-(2-fluorophenyl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide?
The canonical SMILES for N-(2-fluorophenyl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide is Cc1onc(-c2ccccc2)c1C(=O)Nc1ccccc1F.
What is the InChIKey of N-(2-fluorophenyl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide?
The InChIKey is BRYOSIBNMINCGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13FN2O2/c1-11-15(16(20-22-11)12-7-3-2-4-8-12)17(21)19-14-10-6-5-9-13(14)18/h2-10H,1H3,(H,19,21).
What are the key properties of N-(2-fluorophenyl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide?
N-(2-fluorophenyl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide has a molecular weight of 296.30 g/mol, XLogP of 4.04, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluorophenyl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 868173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).