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

C17H12F2N2O3 — CID 17096006

IUPACN-(2,4-difluorophenyl)-3-(3-methoxyphenyl)-1,2-oxazole-5-carboxamide
SMILESCOc1cccc(-c2cc(C(=O)Nc3ccc(F)cc3F)on2)c1
InChIInChI=1S/C17H12F2N2O3/c1-23-12-4-2-3-10(7-12)15-9-16(24-21-15)17(22)20-14-6-5-11(18)8-13(14)19/h2-9H,1H3,(H,20,22)
InChIKeyFWNIHNYWTUUWKF-UHFFFAOYSA-N
MW330.29 g/mol
LogP3.88
Rot. Bonds4

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

N-(2,4-difluorophenyl)-3-(3-methoxyphenyl)-1,2-oxazole-5-carboxamide (PubChem CID 17096006) has the molecular formula C17H12F2N2O3 and a molecular weight of 330.29 g/mol. Its IUPAC name is N-(2,4-difluorophenyl)-3-(3-methoxyphenyl)-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-(2,4-difluorophenyl)-3-(3-methoxyphenyl)-1,2-oxazole-5-carboxamide
PubChem CID17096006
Molecular FormulaC17H12F2N2O3
Molecular Weight330.29 g/mol
Exact Mass330.08
IUPAC NameN-(2,4-difluorophenyl)-3-(3-methoxyphenyl)-1,2-oxazole-5-carboxamide
SMILESCOc1cccc(-c2cc(C(=O)Nc3ccc(F)cc3F)on2)c1
InChIInChI=1S/C17H12F2N2O3/c1-23-12-4-2-3-10(7-12)15-9-16(24-21-15)17(22)20-14-6-5-11(18)8-13(14)19/h2-9H,1H3,(H,20,22)
InChIKeyFWNIHNYWTUUWKF-UHFFFAOYSA-N
XLogP3.88
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.29
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,4-difluorophenyl)-5-(3-methoxyphenyl)-1,2-oxazole-3-carboxamide
CID 4519031
N-[2-[(3-methoxyphenyl)carbamoyl]phenyl]-3-phenyl-1,2-oxazole-5-carboxamide
CID 55666254
N-(2,4-dimethylphenyl)-3-(3-fluorophenyl)-1,2-oxazole-5-carboxamide
CID 46471110
methyl 2-[[3-[4-[[2-(2,4-difluoroanilino)-2-oxoacetyl]amino]phenyl]-1,2-oxazole-5-carbonyl]amino]-3-methylbutanoate
CID 67352410
N-(2,4-dimethoxyphenyl)-3-(4-methylphenyl)-1,2-oxazole-5-carboxamide
CID 46427832
N-(2-tert-butylphenyl)-3-(3-fluorophenyl)-1,2-oxazole-5-carboxamide
CID 43068926
3-(3-methoxyphenyl)-N-[3-(pyrazol-1-ylmethyl)phenyl]-1,2-oxazole-5-carboxamide
CID 46975885
methyl 2-[[3-(4-fluorophenyl)-1,2-oxazole-5-carbonyl]amino]benzoate
CID 17096031
1-(2,4-difluorophenyl)-3-[[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]thiourea
CID 100760207
N-(2-fluorophenyl)-3-(3-methoxyphenyl)-1-methylpyrazole-5-carboxamide
CID 42758735
N-(3-fluorophenyl)-3-(4-methylphenyl)-1,2-oxazole-5-carboxamide
CID 46427554
N-[2,6-di(propan-2-yl)phenyl]-3-(3-fluorophenyl)-1,2-oxazole-5-carboxamide
CID 43068883

Frequently Asked Questions

What is the IUPAC name of N-(2,4-difluorophenyl)-3-(3-methoxyphenyl)-1,2-oxazole-5-carboxamide?
The IUPAC name of N-(2,4-difluorophenyl)-3-(3-methoxyphenyl)-1,2-oxazole-5-carboxamide (CID 17096006) is N-(2,4-difluorophenyl)-3-(3-methoxyphenyl)-1,2-oxazole-5-carboxamide.
What is the SMILES notation for N-(2,4-difluorophenyl)-3-(3-methoxyphenyl)-1,2-oxazole-5-carboxamide?
The canonical SMILES for N-(2,4-difluorophenyl)-3-(3-methoxyphenyl)-1,2-oxazole-5-carboxamide is COc1cccc(-c2cc(C(=O)Nc3ccc(F)cc3F)on2)c1.
What is the InChIKey of N-(2,4-difluorophenyl)-3-(3-methoxyphenyl)-1,2-oxazole-5-carboxamide?
The InChIKey is FWNIHNYWTUUWKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12F2N2O3/c1-23-12-4-2-3-10(7-12)15-9-16(24-21-15)17(22)20-14-6-5-11(18)8-13(14)19/h2-9H,1H3,(H,20,22).
What are the key properties of N-(2,4-difluorophenyl)-3-(3-methoxyphenyl)-1,2-oxazole-5-carboxamide?
N-(2,4-difluorophenyl)-3-(3-methoxyphenyl)-1,2-oxazole-5-carboxamide has a molecular weight of 330.29 g/mol, XLogP of 3.88, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-difluorophenyl)-3-(3-methoxyphenyl)-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 17096006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).