N-[(2,3-difluorophenyl)methyl]-N-methyl-1,3-oxazole-4-carboxamide

C12H10F2N2O2 — CID 139016559

IUPACN-[(2,3-difluorophenyl)methyl]-N-methyl-1,3-oxazole-4-carboxamide
SMILESCN(Cc1cccc(F)c1F)C(=O)c1cocn1
InChIInChI=1S/C12H10F2N2O2/c1-16(12(17)10-6-18-7-15-10)5-8-3-2-4-9(13)11(8)14/h2-4,6-7H,5H2,1H3
InChIKeyGYWASTWDKMXJQG-UHFFFAOYSA-N
MW252.22 g/mol
LogP2.22
Rot. Bonds3

About N-[(2,3-difluorophenyl)methyl]-N-methyl-1,3-oxazole-4-carboxamide

N-[(2,3-difluorophenyl)methyl]-N-methyl-1,3-oxazole-4-carboxamide (PubChem CID 139016559) has the molecular formula C12H10F2N2O2 and a molecular weight of 252.22 g/mol. Its IUPAC name is N-[(2,3-difluorophenyl)methyl]-N-methyl-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[(2,3-difluorophenyl)methyl]-N-methyl-1,3-oxazole-4-carboxamide
PubChem CID139016559
Molecular FormulaC12H10F2N2O2
Molecular Weight252.22 g/mol
Exact Mass252.07
IUPAC NameN-[(2,3-difluorophenyl)methyl]-N-methyl-1,3-oxazole-4-carboxamide
SMILESCN(Cc1cccc(F)c1F)C(=O)c1cocn1
InChIInChI=1S/C12H10F2N2O2/c1-16(12(17)10-6-18-7-15-10)5-8-3-2-4-9(13)11(8)14/h2-4,6-7H,5H2,1H3
InChIKeyGYWASTWDKMXJQG-UHFFFAOYSA-N
XLogP2.22
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.22
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2-fluorophenyl)methyl]-1,3-oxazole-4-carboxamide
CID 110689474
N-[(2-fluorophenyl)methyl]-N-methyl-1,3-thiazole-4-carboxamide
CID 63048529
N-[(2-fluorophenyl)methyl]-N-methylquinoline-2-carboxamide
CID 9409269
N,N-dimethyl-1,3-oxazole-4-carboxamide;hydrochloride
CID 146272451
N-[(2-fluorophenyl)methyl]-N-methylbenzamide
CID 60628244
5-(ethylamino)-N-[(2-fluorophenyl)methyl]-N-methylpyrazine-2-carboxamide
CID 107375107
N-methyl-N-(2-pyridin-4-ylethyl)-1,3-oxazole-4-carboxamide
CID 110689492
2-bromo-6-fluoro-N-[(2-fluorophenyl)methyl]-N-methylbenzamide
CID 115678174
2-bromo-N-[(2-bromophenyl)methyl]-6-fluoro-N-methylbenzamide
CID 114559308
N-[(2-fluorophenyl)methyl]-N,6-dimethylpyridine-3-carboxamide
CID 134057045
(2-fluorophenyl)methyl-methylcarbamic acid
CID 115171049
N-[(2,3-dichlorophenyl)methyl]-1-(2-fluorophenyl)-N-methylpyrazole-3-carboxamide
CID 55647998

Frequently Asked Questions

What is the IUPAC name of N-[(2,3-difluorophenyl)methyl]-N-methyl-1,3-oxazole-4-carboxamide?
The IUPAC name of N-[(2,3-difluorophenyl)methyl]-N-methyl-1,3-oxazole-4-carboxamide (CID 139016559) is N-[(2,3-difluorophenyl)methyl]-N-methyl-1,3-oxazole-4-carboxamide.
What is the SMILES notation for N-[(2,3-difluorophenyl)methyl]-N-methyl-1,3-oxazole-4-carboxamide?
The canonical SMILES for N-[(2,3-difluorophenyl)methyl]-N-methyl-1,3-oxazole-4-carboxamide is CN(Cc1cccc(F)c1F)C(=O)c1cocn1.
What is the InChIKey of N-[(2,3-difluorophenyl)methyl]-N-methyl-1,3-oxazole-4-carboxamide?
The InChIKey is GYWASTWDKMXJQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F2N2O2/c1-16(12(17)10-6-18-7-15-10)5-8-3-2-4-9(13)11(8)14/h2-4,6-7H,5H2,1H3.
What are the key properties of N-[(2,3-difluorophenyl)methyl]-N-methyl-1,3-oxazole-4-carboxamide?
N-[(2,3-difluorophenyl)methyl]-N-methyl-1,3-oxazole-4-carboxamide has a molecular weight of 252.22 g/mol, XLogP of 2.22, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,3-difluorophenyl)methyl]-N-methyl-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 139016559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).