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

C12H10F2N2O3 — CID 91949636

IUPAC5-(3,4-difluorophenyl)-N-methoxy-N-methyl-1,2-oxazole-3-carboxamide
SMILESCON(C)C(=O)c1cc(-c2ccc(F)c(F)c2)on1
InChIInChI=1S/C12H10F2N2O3/c1-16(18-2)12(17)10-6-11(19-15-10)7-3-4-8(13)9(14)5-7/h3-6H,1-2H3
InChIKeyPMHHNJCXXFIXQA-UHFFFAOYSA-N
MW268.22 g/mol
LogP2.25
Rot. Bonds3

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

5-(3,4-difluorophenyl)-N-methoxy-N-methyl-1,2-oxazole-3-carboxamide (PubChem CID 91949636) has the molecular formula C12H10F2N2O3 and a molecular weight of 268.22 g/mol. Its IUPAC name is 5-(3,4-difluorophenyl)-N-methoxy-N-methyl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-(3,4-difluorophenyl)-N-methoxy-N-methyl-1,2-oxazole-3-carboxamide
PubChem CID91949636
Molecular FormulaC12H10F2N2O3
Molecular Weight268.22 g/mol
Exact Mass268.07
IUPAC Name5-(3,4-difluorophenyl)-N-methoxy-N-methyl-1,2-oxazole-3-carboxamide
SMILESCON(C)C(=O)c1cc(-c2ccc(F)c(F)c2)on1
InChIInChI=1S/C12H10F2N2O3/c1-16(18-2)12(17)10-6-11(19-15-10)7-3-4-8(13)9(14)5-7/h3-6H,1-2H3
InChIKeyPMHHNJCXXFIXQA-UHFFFAOYSA-N
XLogP2.25
TPSA55.57 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.22
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-cyclopentyl-5-(4-methylphenyl)-1,2-oxazole-3-carboxamide
CID 1093781
Morpholin-4-yl-(5-p-tolyl-isoxazol-3-yl)-methanone
CID 1093793
Azepan-1-yl-(5-phenyl-isoxazol-3-yl)-methanone
CID 1093742
N-cyclohexyl-5-(4-methylphenyl)-1,2-oxazole-3-carboxamide
CID 1093785
Azepan-1-yl-(5-p-tolyl-isoxazol-3-yl)-methanone
CID 1093787
N-cyclopentyl-5-(4-fluorophenyl)isoxazole-3-carboxamide
CID 17252686
5-Phenylisoxazol-3-yl 4-phenylpiperazinyl ketone
CID 1250455
N-[3-(4-morpholinyl)propyl]-5-phenyl-3-isoxazolecarboxamide
CID 2217157
N-(3-(2-hydroxynicotinamido)propyl)-5-phenylisoxazole-3-carboxamide
CID 60167648
N-cyclopentyl-5-phenyl-1,2-oxazole-3-carboxamide
CID 1093736
[5-(2-Chloro-phenyl)-isoxazol-3-yl]-pyrrolidin-1-yl-methanone
CID 1093868
6-allyl-3-methyl-4-phenylisoxazolo[3,4-d]pyridazin-7(6H)-one
CID 1487437

Frequently Asked Questions

What is the IUPAC name of 5-(3,4-difluorophenyl)-N-methoxy-N-methyl-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-(3,4-difluorophenyl)-N-methoxy-N-methyl-1,2-oxazole-3-carboxamide (CID 91949636) is 5-(3,4-difluorophenyl)-N-methoxy-N-methyl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-(3,4-difluorophenyl)-N-methoxy-N-methyl-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-(3,4-difluorophenyl)-N-methoxy-N-methyl-1,2-oxazole-3-carboxamide is CON(C)C(=O)c1cc(-c2ccc(F)c(F)c2)on1.
What is the InChIKey of 5-(3,4-difluorophenyl)-N-methoxy-N-methyl-1,2-oxazole-3-carboxamide?
The InChIKey is PMHHNJCXXFIXQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F2N2O3/c1-16(18-2)12(17)10-6-11(19-15-10)7-3-4-8(13)9(14)5-7/h3-6H,1-2H3.
What are the key properties of 5-(3,4-difluorophenyl)-N-methoxy-N-methyl-1,2-oxazole-3-carboxamide?
5-(3,4-difluorophenyl)-N-methoxy-N-methyl-1,2-oxazole-3-carboxamide has a molecular weight of 268.22 g/mol, XLogP of 2.25, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,4-difluorophenyl)-N-methoxy-N-methyl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 91949636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).