N-[(1R)-1-(3,4-difluorophenyl)ethyl]-3-methyl-1,2-oxazole-5-carboxamide

C13H12F2N2O2 — CID 93247266

IUPACN-[(1R)-1-(3,4-difluorophenyl)ethyl]-3-methyl-1,2-oxazole-5-carboxamide
SMILESCc1cc(C(=O)N[C@H](C)c2ccc(F)c(F)c2)on1
InChIInChI=1S/C13H12F2N2O2/c1-7-5-12(19-17-7)13(18)16-8(2)9-3-4-10(14)11(15)6-9/h3-6,8H,1-2H3,(H,16,18)/t8-/m1/s1
InChIKeyOEMAYQOVTDUEEU-MRVPVSSYSA-N
MW266.25 g/mol
LogP2.75
Rot. Bonds3

About N-[(1R)-1-(3,4-difluorophenyl)ethyl]-3-methyl-1,2-oxazole-5-carboxamide

N-[(1R)-1-(3,4-difluorophenyl)ethyl]-3-methyl-1,2-oxazole-5-carboxamide (PubChem CID 93247266) has the molecular formula C13H12F2N2O2 and a molecular weight of 266.25 g/mol. Its IUPAC name is N-[(1R)-1-(3,4-difluorophenyl)ethyl]-3-methyl-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-[(1R)-1-(3,4-difluorophenyl)ethyl]-3-methyl-1,2-oxazole-5-carboxamide
PubChem CID93247266
Molecular FormulaC13H12F2N2O2
Molecular Weight266.25 g/mol
Exact Mass266.09
IUPAC NameN-[(1R)-1-(3,4-difluorophenyl)ethyl]-3-methyl-1,2-oxazole-5-carboxamide
SMILESCc1cc(C(=O)N[C@H](C)c2ccc(F)c(F)c2)on1
InChIInChI=1S/C13H12F2N2O2/c1-7-5-12(19-17-7)13(18)16-8(2)9-3-4-10(14)11(15)6-9/h3-6,8H,1-2H3,(H,16,18)/t8-/m1/s1
InChIKeyOEMAYQOVTDUEEU-MRVPVSSYSA-N
XLogP2.75
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.25
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-N-[(1S)-1-(4-methylsulfanylphenyl)ethyl]-1,2-oxazole-5-carboxamide
CID 38916927
N-[1-(1,3-benzodioxol-5-yl)ethyl]-3-methyl-1,2-oxazole-5-carboxamide
CID 18143574
N-[1-(3,4-difluorophenyl)ethyl]-2,4,5-trimethylfuran-3-carboxamide
CID 46522444
3-methyl-N-[2-methyl-1-(4-propan-2-ylphenyl)propyl]-1,2-oxazole-5-carboxamide
CID 46823792
N-[1-(3,4-difluorophenyl)ethyl]-4-fluoro-3-methylbenzamide
CID 63213221
(2R)-2-[(3-methyl-1,2-oxazole-5-carbonyl)amino]propanoic acid
CID 28777806
N-[(1R)-1-(2-bromophenyl)ethyl]-3-methyl-1,2-oxazole-5-carboxamide
CID 51857396
N-[(2R)-2-(4-chlorophenyl)-2-[(3-methyl-1,2-oxazole-5-carbonyl)amino]ethyl]-3-methyl-1,2-oxazole-5-carboxamide
CID 100717123
N-[2-(4-chlorophenyl)-2-[(3-methyl-1,2-oxazole-5-carbonyl)amino]ethyl]-3-methyl-1,2-oxazole-5-carboxamide
CID 119040347
N-[(1R)-1-(3-fluoro-4-methoxyphenyl)ethyl]-3-(2-methylpropyl)-1,2-oxazole-5-carboxamide
CID 97154633
1-(3,4-difluorophenyl)-N-[(3-methyl-1,2-oxazol-5-yl)methyl]ethanamine
CID 60713930
N-[1-(3,4-difluorophenyl)ethyl]furan-3-carboxamide
CID 51265265

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(3,4-difluorophenyl)ethyl]-3-methyl-1,2-oxazole-5-carboxamide?
The IUPAC name of N-[(1R)-1-(3,4-difluorophenyl)ethyl]-3-methyl-1,2-oxazole-5-carboxamide (CID 93247266) is N-[(1R)-1-(3,4-difluorophenyl)ethyl]-3-methyl-1,2-oxazole-5-carboxamide.
What is the SMILES notation for N-[(1R)-1-(3,4-difluorophenyl)ethyl]-3-methyl-1,2-oxazole-5-carboxamide?
The canonical SMILES for N-[(1R)-1-(3,4-difluorophenyl)ethyl]-3-methyl-1,2-oxazole-5-carboxamide is Cc1cc(C(=O)N[C@H](C)c2ccc(F)c(F)c2)on1.
What is the InChIKey of N-[(1R)-1-(3,4-difluorophenyl)ethyl]-3-methyl-1,2-oxazole-5-carboxamide?
The InChIKey is OEMAYQOVTDUEEU-MRVPVSSYSA-N. The full InChI is InChI=1S/C13H12F2N2O2/c1-7-5-12(19-17-7)13(18)16-8(2)9-3-4-10(14)11(15)6-9/h3-6,8H,1-2H3,(H,16,18)/t8-/m1/s1.
What are the key properties of N-[(1R)-1-(3,4-difluorophenyl)ethyl]-3-methyl-1,2-oxazole-5-carboxamide?
N-[(1R)-1-(3,4-difluorophenyl)ethyl]-3-methyl-1,2-oxazole-5-carboxamide has a molecular weight of 266.25 g/mol, XLogP of 2.75, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(3,4-difluorophenyl)ethyl]-3-methyl-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 93247266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).