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

C17H12F2N2O3 — CID 3685908

IUPACN-(2,4-difluorophenyl)-5-(4-methoxyphenyl)-1,2-oxazole-3-carboxamide
SMILESCOc1ccc(-c2cc(C(=O)Nc3ccc(F)cc3F)no2)cc1
InChIInChI=1S/C17H12F2N2O3/c1-23-12-5-2-10(3-6-12)16-9-15(21-24-16)17(22)20-14-7-4-11(18)8-13(14)19/h2-9H,1H3,(H,20,22)
InChIKeyYMARFMAILUTBRO-UHFFFAOYSA-N
MW330.29 g/mol
LogP3.88
Rot. Bonds4

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

N-(2,4-difluorophenyl)-5-(4-methoxyphenyl)-1,2-oxazole-3-carboxamide (PubChem CID 3685908) has the molecular formula C17H12F2N2O3 and a molecular weight of 330.29 g/mol. Its IUPAC name is N-(2,4-difluorophenyl)-5-(4-methoxyphenyl)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-(2,4-difluorophenyl)-5-(4-methoxyphenyl)-1,2-oxazole-3-carboxamide
PubChem CID3685908
Molecular FormulaC17H12F2N2O3
Molecular Weight330.29 g/mol
Exact Mass330.08
IUPAC NameN-(2,4-difluorophenyl)-5-(4-methoxyphenyl)-1,2-oxazole-3-carboxamide
SMILESCOc1ccc(-c2cc(C(=O)Nc3ccc(F)cc3F)no2)cc1
InChIInChI=1S/C17H12F2N2O3/c1-23-12-5-2-10(3-6-12)16-9-15(21-24-16)17(22)20-14-7-4-11(18)8-13(14)19/h2-9H,1H3,(H,20,22)
InChIKeyYMARFMAILUTBRO-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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Frequently Asked Questions

What is the IUPAC name of N-(2,4-difluorophenyl)-5-(4-methoxyphenyl)-1,2-oxazole-3-carboxamide?
The IUPAC name of N-(2,4-difluorophenyl)-5-(4-methoxyphenyl)-1,2-oxazole-3-carboxamide (CID 3685908) is N-(2,4-difluorophenyl)-5-(4-methoxyphenyl)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-(2,4-difluorophenyl)-5-(4-methoxyphenyl)-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-(2,4-difluorophenyl)-5-(4-methoxyphenyl)-1,2-oxazole-3-carboxamide is COc1ccc(-c2cc(C(=O)Nc3ccc(F)cc3F)no2)cc1.
What is the InChIKey of N-(2,4-difluorophenyl)-5-(4-methoxyphenyl)-1,2-oxazole-3-carboxamide?
The InChIKey is YMARFMAILUTBRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12F2N2O3/c1-23-12-5-2-10(3-6-12)16-9-15(21-24-16)17(22)20-14-7-4-11(18)8-13(14)19/h2-9H,1H3,(H,20,22).
What are the key properties of N-(2,4-difluorophenyl)-5-(4-methoxyphenyl)-1,2-oxazole-3-carboxamide?
N-(2,4-difluorophenyl)-5-(4-methoxyphenyl)-1,2-oxazole-3-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)-5-(4-methoxyphenyl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 3685908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).