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

C17H13FN2O3 — CID 2769301

IUPACN-(2-fluorophenyl)-3-(4-methoxyphenyl)-1,2-oxazole-5-carboxamide
SMILESCOc1ccc(-c2cc(C(=O)Nc3ccccc3F)on2)cc1
InChIInChI=1S/C17H13FN2O3/c1-22-12-8-6-11(7-9-12)15-10-16(23-20-15)17(21)19-14-5-3-2-4-13(14)18/h2-10H,1H3,(H,19,21)
InChIKeyBYXULIPZMUVYTJ-UHFFFAOYSA-N
MW312.30 g/mol
LogP3.74
Rot. Bonds4

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

N-(2-fluorophenyl)-3-(4-methoxyphenyl)-1,2-oxazole-5-carboxamide (PubChem CID 2769301) has the molecular formula C17H13FN2O3 and a molecular weight of 312.30 g/mol. Its IUPAC name is N-(2-fluorophenyl)-3-(4-methoxyphenyl)-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-(2-fluorophenyl)-3-(4-methoxyphenyl)-1,2-oxazole-5-carboxamide
PubChem CID2769301
Molecular FormulaC17H13FN2O3
Molecular Weight312.30 g/mol
Exact Mass312.09
IUPAC NameN-(2-fluorophenyl)-3-(4-methoxyphenyl)-1,2-oxazole-5-carboxamide
SMILESCOc1ccc(-c2cc(C(=O)Nc3ccccc3F)on2)cc1
InChIInChI=1S/C17H13FN2O3/c1-22-12-8-6-11(7-9-12)15-10-16(23-20-15)17(21)19-14-5-3-2-4-13(14)18/h2-10H,1H3,(H,19,21)
InChIKeyBYXULIPZMUVYTJ-UHFFFAOYSA-N
XLogP3.74
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.30
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

T56-LIMKi
CID 9438169
N-(4-methoxyphenyl)-5-phenyl-1,2-oxazole-3-carboxamide
CID 1093730
N-(2-acetylphenyl)-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide
CID 2466270
N-(4-fluorophenyl)-3-phenyl-1,2-oxazole-5-carboxamide
CID 2769315
4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(2-methylphenyl)benzamide
CID 2534940
N-(4-methoxyphenyl)-5-(4-methylphenyl)-1,2-oxazole-3-carboxamide
CID 1093771
4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-phenylbenzamide
CID 2574590
N-[4-(difluoromethoxy)phenyl]-N'-(5-methyl-3-phenyl-4-isoxazolyl)urea
CID 2815190
5-(3-methoxyphenyl)-N-(4-methoxyphenyl)-1,2-oxazole-3-carboxamide
CID 3494857
N-(3-hydroxyphenyl)-5-(4-methoxyphenyl)-1,2-oxazole-3-carboxamide
CID 3685905
N-(2,4-difluorophenyl)-5-(4-methoxyphenyl)-1,2-oxazole-3-carboxamide
CID 3685908
N-(2-ethylphenyl)-5-(4-methoxyphenyl)-1,2-oxazole-3-carboxamide
CID 5016617

Frequently Asked Questions

What is the IUPAC name of N-(2-fluorophenyl)-3-(4-methoxyphenyl)-1,2-oxazole-5-carboxamide?
The IUPAC name of N-(2-fluorophenyl)-3-(4-methoxyphenyl)-1,2-oxazole-5-carboxamide (CID 2769301) is N-(2-fluorophenyl)-3-(4-methoxyphenyl)-1,2-oxazole-5-carboxamide.
What is the SMILES notation for N-(2-fluorophenyl)-3-(4-methoxyphenyl)-1,2-oxazole-5-carboxamide?
The canonical SMILES for N-(2-fluorophenyl)-3-(4-methoxyphenyl)-1,2-oxazole-5-carboxamide is COc1ccc(-c2cc(C(=O)Nc3ccccc3F)on2)cc1.
What is the InChIKey of N-(2-fluorophenyl)-3-(4-methoxyphenyl)-1,2-oxazole-5-carboxamide?
The InChIKey is BYXULIPZMUVYTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13FN2O3/c1-22-12-8-6-11(7-9-12)15-10-16(23-20-15)17(21)19-14-5-3-2-4-13(14)18/h2-10H,1H3,(H,19,21).
What are the key properties of N-(2-fluorophenyl)-3-(4-methoxyphenyl)-1,2-oxazole-5-carboxamide?
N-(2-fluorophenyl)-3-(4-methoxyphenyl)-1,2-oxazole-5-carboxamide has a molecular weight of 312.30 g/mol, XLogP of 3.74, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluorophenyl)-3-(4-methoxyphenyl)-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 2769301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).