5-(2,6-difluorophenyl)-N,N-dimethyl-2,5-dihydro-1,2-oxazole-3-carboxamide

C12H12F2N2O2 — CID 91132290

IUPAC5-(2,6-difluorophenyl)-N,N-dimethyl-2,5-dihydro-1,2-oxazole-3-carboxamide
SMILESCN(C)C(=O)C1=CC(c2c(F)cccc2F)ON1
InChIInChI=1S/C12H12F2N2O2/c1-16(2)12(17)9-6-10(18-15-9)11-7(13)4-3-5-8(11)14/h3-6,10,15H,1-2H3
InChIKeyYCTVPRWEGAOLSE-UHFFFAOYSA-N
MW254.24 g/mol
LogP1.51
Rot. Bonds2

About 5-(2,6-difluorophenyl)-N,N-dimethyl-2,5-dihydro-1,2-oxazole-3-carboxamide

5-(2,6-difluorophenyl)-N,N-dimethyl-2,5-dihydro-1,2-oxazole-3-carboxamide (PubChem CID 91132290) has the molecular formula C12H12F2N2O2 and a molecular weight of 254.24 g/mol. Its IUPAC name is 5-(2,6-difluorophenyl)-N,N-dimethyl-2,5-dihydro-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-(2,6-difluorophenyl)-N,N-dimethyl-2,5-dihydro-1,2-oxazole-3-carboxamide
PubChem CID91132290
Molecular FormulaC12H12F2N2O2
Molecular Weight254.24 g/mol
Exact Mass254.09
IUPAC Name5-(2,6-difluorophenyl)-N,N-dimethyl-2,5-dihydro-1,2-oxazole-3-carboxamide
SMILESCN(C)C(=O)C1=CC(c2c(F)cccc2F)ON1
InChIInChI=1S/C12H12F2N2O2/c1-16(2)12(17)9-6-10(18-15-9)11-7(13)4-3-5-8(11)14/h3-6,10,15H,1-2H3
InChIKeyYCTVPRWEGAOLSE-UHFFFAOYSA-N
XLogP1.51
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.24
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[[5-(4-Fluorophenyl)-2,5-dihydro-1,2-oxazol-3-yl]methyl]-1-hydroxyurea
CID 57240534
1-[5-(2,6-Difluorophenyl)-2,5-dihydro-1,2-oxazol-3-yl]ethanone
CID 91309997
(Z)-2-amino-3-(3,5-difluorophenyl)-3-hydroxy-N,N-dimethylprop-2-enamide
CID 144027186
2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-phenylmethoxyacetamide
CID 32348574
4-Amino-5-(2-fluorophenyl)-1,2-oxazol-3-one
CID 82401508
N-methoxy-2-(phenylmethoxyamino)prop-2-enamide
CID 57215057
3-Amino-1-phenylmethoxypyridin-2-one;hydron;bromide
CID 68514445
3-Amino-1-phenylmethoxypyridin-2-one
CID 68514446
3-amino-1-benzyloxy-1H-pyridin-2-one hydrogen bromide salt
CID 68514449
(5R)-N,N-dimethyl-5-phenyl-2,5-dihydro-1,2-oxazole-3-carboxamide
CID 90960344
N,N-dimethyl-5-phenyl-2,5-dihydro-1,2-oxazole-3-carboxamide
CID 91499209
(Z)-3-amino-N-methyl-N-phenylmethoxybut-2-enamide
CID 133614205

Frequently Asked Questions

What is the IUPAC name of 5-(2,6-difluorophenyl)-N,N-dimethyl-2,5-dihydro-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-(2,6-difluorophenyl)-N,N-dimethyl-2,5-dihydro-1,2-oxazole-3-carboxamide (CID 91132290) is 5-(2,6-difluorophenyl)-N,N-dimethyl-2,5-dihydro-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-(2,6-difluorophenyl)-N,N-dimethyl-2,5-dihydro-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-(2,6-difluorophenyl)-N,N-dimethyl-2,5-dihydro-1,2-oxazole-3-carboxamide is CN(C)C(=O)C1=CC(c2c(F)cccc2F)ON1.
What is the InChIKey of 5-(2,6-difluorophenyl)-N,N-dimethyl-2,5-dihydro-1,2-oxazole-3-carboxamide?
The InChIKey is YCTVPRWEGAOLSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F2N2O2/c1-16(2)12(17)9-6-10(18-15-9)11-7(13)4-3-5-8(11)14/h3-6,10,15H,1-2H3.
What are the key properties of 5-(2,6-difluorophenyl)-N,N-dimethyl-2,5-dihydro-1,2-oxazole-3-carboxamide?
5-(2,6-difluorophenyl)-N,N-dimethyl-2,5-dihydro-1,2-oxazole-3-carboxamide has a molecular weight of 254.24 g/mol, XLogP of 1.51, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,6-difluorophenyl)-N,N-dimethyl-2,5-dihydro-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 91132290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).