N-[[4-(difluoromethoxy)phenyl]methyl]-5-methyl-1,2-oxazole-3-carboxamide

C13H12F2N2O3 — CID 47109455

IUPACN-[[4-(difluoromethoxy)phenyl]methyl]-5-methyl-1,2-oxazole-3-carboxamide
SMILESCc1cc(C(=O)NCc2ccc(OC(F)F)cc2)no1
InChIInChI=1S/C13H12F2N2O3/c1-8-6-11(17-20-8)12(18)16-7-9-2-4-10(5-3-9)19-13(14)15/h2-6,13H,7H2,1H3,(H,16,18)
InChIKeyRIZVKJBDCHJEQF-UHFFFAOYSA-N
MW282.25 g/mol
LogP2.51
Rot. Bonds5

About N-[[4-(difluoromethoxy)phenyl]methyl]-5-methyl-1,2-oxazole-3-carboxamide

N-[[4-(difluoromethoxy)phenyl]methyl]-5-methyl-1,2-oxazole-3-carboxamide (PubChem CID 47109455) has the molecular formula C13H12F2N2O3 and a molecular weight of 282.25 g/mol. Its IUPAC name is N-[[4-(difluoromethoxy)phenyl]methyl]-5-methyl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[[4-(difluoromethoxy)phenyl]methyl]-5-methyl-1,2-oxazole-3-carboxamide
PubChem CID47109455
Molecular FormulaC13H12F2N2O3
Molecular Weight282.25 g/mol
Exact Mass282.08
IUPAC NameN-[[4-(difluoromethoxy)phenyl]methyl]-5-methyl-1,2-oxazole-3-carboxamide
SMILESCc1cc(C(=O)NCc2ccc(OC(F)F)cc2)no1
InChIInChI=1S/C13H12F2N2O3/c1-8-6-11(17-20-8)12(18)16-7-9-2-4-10(5-3-9)19-13(14)15/h2-6,13H,7H2,1H3,(H,16,18)
InChIKeyRIZVKJBDCHJEQF-UHFFFAOYSA-N
XLogP2.51
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.25
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-N,6-N-bis[[4-(difluoromethoxy)phenyl]methyl]pyridine-2,6-dicarboxamide
CID 39047207
5-methyl-N-[[4-(2-methylpropanoylamino)phenyl]methyl]-1,2-oxazole-3-carboxamide
CID 51333269
N-[[4-(difluoromethoxy)phenyl]methyl]acetamide
CID 51072984
N-[(3-methoxyphenyl)methyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 51153757
5-methyl-N-[[4-[[(2S)-oxolan-2-yl]methoxy]phenyl]methyl]-1,2-oxazole-3-carboxamide
CID 94025887
N-[[4-(difluoromethoxy)phenyl]methyl]quinoxaline-2-carboxamide
CID 134021244
N-[[4-(difluoromethoxy)phenyl]methyl]-2-methyl-5-sulfamoylbenzamide
CID 42010369
N-[[4-(furan-2-carbonylamino)phenyl]methyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 51327722
N-[[4-(difluoromethoxy)phenyl]methyl]-2,7-dimethylquinoline-3-carboxamide
CID 38797474
2-bromo-N-[[4-(difluoromethoxy)phenyl]methyl]pyridine-4-carboxamide
CID 103753941
ethyl 5-[[(5-methyl-1,2-oxazole-3-carbonyl)amino]methyl]furan-2-carboxylate
CID 71860945
2-bromo-N-[[4-(difluoromethoxy)phenyl]methyl]benzamide
CID 42006664

Frequently Asked Questions

What is the IUPAC name of N-[[4-(difluoromethoxy)phenyl]methyl]-5-methyl-1,2-oxazole-3-carboxamide?
The IUPAC name of N-[[4-(difluoromethoxy)phenyl]methyl]-5-methyl-1,2-oxazole-3-carboxamide (CID 47109455) is N-[[4-(difluoromethoxy)phenyl]methyl]-5-methyl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-[[4-(difluoromethoxy)phenyl]methyl]-5-methyl-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[[4-(difluoromethoxy)phenyl]methyl]-5-methyl-1,2-oxazole-3-carboxamide is Cc1cc(C(=O)NCc2ccc(OC(F)F)cc2)no1.
What is the InChIKey of N-[[4-(difluoromethoxy)phenyl]methyl]-5-methyl-1,2-oxazole-3-carboxamide?
The InChIKey is RIZVKJBDCHJEQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F2N2O3/c1-8-6-11(17-20-8)12(18)16-7-9-2-4-10(5-3-9)19-13(14)15/h2-6,13H,7H2,1H3,(H,16,18).
What are the key properties of N-[[4-(difluoromethoxy)phenyl]methyl]-5-methyl-1,2-oxazole-3-carboxamide?
N-[[4-(difluoromethoxy)phenyl]methyl]-5-methyl-1,2-oxazole-3-carboxamide has a molecular weight of 282.25 g/mol, XLogP of 2.51, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(difluoromethoxy)phenyl]methyl]-5-methyl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 47109455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).