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

C19H13F5N2O3 — CID 175455143

IUPAC5-[2-(difluoromethoxy)phenyl]-3-methyl-N-[3-(trifluoromethyl)phenyl]-1,2-oxazole-4-carboxamide
SMILESCc1noc(-c2ccccc2OC(F)F)c1C(=O)Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C19H13F5N2O3/c1-10-15(17(27)25-12-6-4-5-11(9-12)19(22,23)24)16(29-26-10)13-7-2-3-8-14(13)28-18(20)21/h2-9,18H,1H3,(H,25,27)
InChIKeyOSLNQKZOFBEACF-UHFFFAOYSA-N
MW412.31 g/mol
LogP5.52
Rot. Bonds5

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

5-[2-(difluoromethoxy)phenyl]-3-methyl-N-[3-(trifluoromethyl)phenyl]-1,2-oxazole-4-carboxamide (PubChem CID 175455143) has the molecular formula C19H13F5N2O3 and a molecular weight of 412.31 g/mol. Its IUPAC name is 5-[2-(difluoromethoxy)phenyl]-3-methyl-N-[3-(trifluoromethyl)phenyl]-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound Name5-[2-(difluoromethoxy)phenyl]-3-methyl-N-[3-(trifluoromethyl)phenyl]-1,2-oxazole-4-carboxamide
PubChem CID175455143
Molecular FormulaC19H13F5N2O3
Molecular Weight412.31 g/mol
Exact Mass412.08
IUPAC Name5-[2-(difluoromethoxy)phenyl]-3-methyl-N-[3-(trifluoromethyl)phenyl]-1,2-oxazole-4-carboxamide
SMILESCc1noc(-c2ccccc2OC(F)F)c1C(=O)Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C19H13F5N2O3/c1-10-15(17(27)25-12-6-4-5-11(9-12)19(22,23)24)16(29-26-10)13-7-2-3-8-14(13)28-18(20)21/h2-9,18H,1H3,(H,25,27)
InChIKeyOSLNQKZOFBEACF-UHFFFAOYSA-N
XLogP5.52
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.31
LogP ≤ 55.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-tert-butyl-5-methyl-N-[3-(trifluoromethyl)phenyl]-1,2-oxazole-4-carboxamide
CID 110423356
[2-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl] hypobromite
CID 150746432
2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 31301441
2,3,5,6-tetrafluoro-4-methyl-N-[3-(trifluoromethyl)phenyl]benzamide
CID 170317070
N-[3,5-bis(trifluoromethyl)phenyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 7926548
N-[3-(1,1-difluoroethyl)phenyl]-2-[4-(difluoromethoxy)-3-phenylphenyl]-5-methyl-1,3-oxazole-4-carboxamide
CID 155287045
4-butoxy-2,6-dimethyl-N-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide
CID 57308371
1-(5-methyl-1,2-oxazol-3-yl)-3-[3-(trifluoromethyl)phenyl]urea
CID 978129
(2R)-2-(2-methylphenoxy)-N-[3-(trifluoromethyl)phenyl]propanamide
CID 1254376
4-N-(5-methyl-1,2-oxazol-3-yl)-1-N-[3-(trifluoromethyl)phenyl]benzene-1,4-dicarboxamide
CID 109050141
3-[2-(3,5-dimethyl-1,2-oxazol-4-yl)propanoylamino]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 146088445
[1-oxo-1-[3-(trifluoromethyl)anilino]propan-2-yl] 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoate
CID 55310123

Frequently Asked Questions

What is the IUPAC name of 5-[2-(difluoromethoxy)phenyl]-3-methyl-N-[3-(trifluoromethyl)phenyl]-1,2-oxazole-4-carboxamide?
The IUPAC name of 5-[2-(difluoromethoxy)phenyl]-3-methyl-N-[3-(trifluoromethyl)phenyl]-1,2-oxazole-4-carboxamide (CID 175455143) is 5-[2-(difluoromethoxy)phenyl]-3-methyl-N-[3-(trifluoromethyl)phenyl]-1,2-oxazole-4-carboxamide.
What is the SMILES notation for 5-[2-(difluoromethoxy)phenyl]-3-methyl-N-[3-(trifluoromethyl)phenyl]-1,2-oxazole-4-carboxamide?
The canonical SMILES for 5-[2-(difluoromethoxy)phenyl]-3-methyl-N-[3-(trifluoromethyl)phenyl]-1,2-oxazole-4-carboxamide is Cc1noc(-c2ccccc2OC(F)F)c1C(=O)Nc1cccc(C(F)(F)F)c1.
What is the InChIKey of 5-[2-(difluoromethoxy)phenyl]-3-methyl-N-[3-(trifluoromethyl)phenyl]-1,2-oxazole-4-carboxamide?
The InChIKey is OSLNQKZOFBEACF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13F5N2O3/c1-10-15(17(27)25-12-6-4-5-11(9-12)19(22,23)24)16(29-26-10)13-7-2-3-8-14(13)28-18(20)21/h2-9,18H,1H3,(H,25,27).
What are the key properties of 5-[2-(difluoromethoxy)phenyl]-3-methyl-N-[3-(trifluoromethyl)phenyl]-1,2-oxazole-4-carboxamide?
5-[2-(difluoromethoxy)phenyl]-3-methyl-N-[3-(trifluoromethyl)phenyl]-1,2-oxazole-4-carboxamide has a molecular weight of 412.31 g/mol, XLogP of 5.52, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(difluoromethoxy)phenyl]-3-methyl-N-[3-(trifluoromethyl)phenyl]-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 175455143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).