3-[2-(difluoromethoxy)phenyl]-N,N-dimethyl-1,2-oxazole-5-carboxamide

C13H12F2N2O3 — CID 10779238

IUPAC3-[2-(difluoromethoxy)phenyl]-N,N-dimethyl-1,2-oxazole-5-carboxamide
SMILESCN(C)C(=O)c1cc(-c2ccccc2OC(F)F)no1
InChIInChI=1S/C13H12F2N2O3/c1-17(2)12(18)11-7-9(16-20-11)8-5-3-4-6-10(8)19-13(14)15/h3-7,13H,1-2H3
InChIKeyPXVMOFDISXGDAE-UHFFFAOYSA-N
MW282.25 g/mol
LogP2.64
Rot. Bonds4

About 3-[2-(difluoromethoxy)phenyl]-N,N-dimethyl-1,2-oxazole-5-carboxamide

3-[2-(difluoromethoxy)phenyl]-N,N-dimethyl-1,2-oxazole-5-carboxamide (PubChem CID 10779238) has the molecular formula C13H12F2N2O3 and a molecular weight of 282.25 g/mol. Its IUPAC name is 3-[2-(difluoromethoxy)phenyl]-N,N-dimethyl-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound Name3-[2-(difluoromethoxy)phenyl]-N,N-dimethyl-1,2-oxazole-5-carboxamide
PubChem CID10779238
Molecular FormulaC13H12F2N2O3
Molecular Weight282.25 g/mol
Exact Mass282.08
IUPAC Name3-[2-(difluoromethoxy)phenyl]-N,N-dimethyl-1,2-oxazole-5-carboxamide
SMILESCN(C)C(=O)c1cc(-c2ccccc2OC(F)F)no1
InChIInChI=1S/C13H12F2N2O3/c1-17(2)12(18)11-7-9(16-20-11)8-5-3-4-6-10(8)19-13(14)15/h3-7,13H,1-2H3
InChIKeyPXVMOFDISXGDAE-UHFFFAOYSA-N
XLogP2.64
TPSA55.57 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.25
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[3-[2-(difluoromethoxy)phenyl]-1,2-oxazol-5-yl]methanol
CID 178133095
5-[2-(difluoromethoxy)phenyl]-3-methyl-1,2-oxazole-4-carboxylic acid
CID 175455308
2-[2-(difluoromethoxy)phenyl]-6,7-dimethylquinoline-4-carboxylic acid
CID 18073533
N-[1-[2-(difluoromethoxy)phenyl]ethyl]-3-(3-fluorophenyl)-1,2-oxazole-5-carboxamide
CID 43071866
2-[2-(difluoromethoxy)phenyl]-5-methyl-1,3-oxazole-4-carboxylic acid
CID 62233000
2-[2-(difluoromethoxy)phenyl]-4-phenylquinoline
CID 8966170
2-(difluoromethoxy)-N-[[4-(dimethylcarbamoyl)phenyl]methyl]benzamide
CID 46422070
[4-[2-(difluoromethoxy)phenyl]-1,3-thiazol-2-yl]methanol
CID 55157591
3-[[2-(difluoromethoxy)phenyl]methyl]-1-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]urea
CID 87003197
5-[2-(difluoromethoxy)phenyl]-3-methyl-N-[3-(trifluoromethyl)phenyl]-1,2-oxazole-4-carboxamide
CID 175455143
2-(difluoromethoxy)-N-[4-(dimethylcarbamoyl)phenyl]benzamide
CID 26904916
1-(4-bromophenyl)-N-[[3-[2-(difluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]methyl]-N-methylmethanamine
CID 78815340

Frequently Asked Questions

What is the IUPAC name of 3-[2-(difluoromethoxy)phenyl]-N,N-dimethyl-1,2-oxazole-5-carboxamide?
The IUPAC name of 3-[2-(difluoromethoxy)phenyl]-N,N-dimethyl-1,2-oxazole-5-carboxamide (CID 10779238) is 3-[2-(difluoromethoxy)phenyl]-N,N-dimethyl-1,2-oxazole-5-carboxamide.
What is the SMILES notation for 3-[2-(difluoromethoxy)phenyl]-N,N-dimethyl-1,2-oxazole-5-carboxamide?
The canonical SMILES for 3-[2-(difluoromethoxy)phenyl]-N,N-dimethyl-1,2-oxazole-5-carboxamide is CN(C)C(=O)c1cc(-c2ccccc2OC(F)F)no1.
What is the InChIKey of 3-[2-(difluoromethoxy)phenyl]-N,N-dimethyl-1,2-oxazole-5-carboxamide?
The InChIKey is PXVMOFDISXGDAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F2N2O3/c1-17(2)12(18)11-7-9(16-20-11)8-5-3-4-6-10(8)19-13(14)15/h3-7,13H,1-2H3.
What are the key properties of 3-[2-(difluoromethoxy)phenyl]-N,N-dimethyl-1,2-oxazole-5-carboxamide?
3-[2-(difluoromethoxy)phenyl]-N,N-dimethyl-1,2-oxazole-5-carboxamide has a molecular weight of 282.25 g/mol, XLogP of 2.64, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(difluoromethoxy)phenyl]-N,N-dimethyl-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 10779238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).