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

C18H12F3N3O3 — CID 7348563

IUPAC4-amino-5-benzoyl-N-[3-(trifluoromethyl)phenyl]-1,2-oxazole-3-carboxamide
SMILESNc1c(C(=O)Nc2cccc(C(F)(F)F)c2)noc1C(=O)c1ccccc1
InChIInChI=1S/C18H12F3N3O3/c19-18(20,21)11-7-4-8-12(9-11)23-17(26)14-13(22)16(27-24-14)15(25)10-5-2-1-3-6-10/h1-9H,22H2,(H,23,26)
InChIKeyRCBCBIDYGNEFOH-UHFFFAOYSA-N
MW375.31 g/mol
LogP3.76
Rot. Bonds4

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

4-amino-5-benzoyl-N-[3-(trifluoromethyl)phenyl]-1,2-oxazole-3-carboxamide (PubChem CID 7348563) has the molecular formula C18H12F3N3O3 and a molecular weight of 375.31 g/mol. Its IUPAC name is 4-amino-5-benzoyl-N-[3-(trifluoromethyl)phenyl]-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name4-amino-5-benzoyl-N-[3-(trifluoromethyl)phenyl]-1,2-oxazole-3-carboxamide
PubChem CID7348563
Molecular FormulaC18H12F3N3O3
Molecular Weight375.31 g/mol
Exact Mass375.08
IUPAC Name4-amino-5-benzoyl-N-[3-(trifluoromethyl)phenyl]-1,2-oxazole-3-carboxamide
SMILESNc1c(C(=O)Nc2cccc(C(F)(F)F)c2)noc1C(=O)c1ccccc1
InChIInChI=1S/C18H12F3N3O3/c19-18(20,21)11-7-4-8-12(9-11)23-17(26)14-13(22)16(27-24-14)15(25)10-5-2-1-3-6-10/h1-9H,22H2,(H,23,26)
InChIKeyRCBCBIDYGNEFOH-UHFFFAOYSA-N
XLogP3.76
TPSA98.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.31
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-amino-N-[3-(trifluoromethyl)phenyl]-1,2-thiazole-3-carboxamide;hydrochloride
CID 90485584
N-[4-[[3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]benzamide
CID 130471222
1-(4-benzoylphenyl)-3-[3-(trifluoromethyl)phenyl]urea
CID 134095686
5-amino-1-phenyl-N-[3-(trifluoromethyl)phenyl]triazole-4-carboxamide
CID 27262208
4-N-(5-methyl-1,2-oxazol-3-yl)-1-N-[3-(trifluoromethyl)phenyl]benzene-1,4-dicarboxamide
CID 109050141
3-N-[3-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]benzene-1,3-dicarboxamide
CID 46577065
(5S)-5-methyl-N-[3-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide
CID 29056700
3-[[3-(trifluoromethyl)phenyl]carbamoyl]pyrazine-2-carboxylate
CID 6989867
N-[3-(trifluoromethyl)phenyl]-3-[[3-(trifluoromethyl)phenyl]carbamoylamino]benzamide
CID 2359720
3-acetamido-N-[3-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]benzamide
CID 46513424
6-amino-N-[3-(trifluoromethyl)phenyl]pyridine-2-carboxamide
CID 62238899
5-[[3-(trifluoromethyl)phenyl]carbamoyl]furan-3-carboxylic acid
CID 104606992

Frequently Asked Questions

What is the IUPAC name of 4-amino-5-benzoyl-N-[3-(trifluoromethyl)phenyl]-1,2-oxazole-3-carboxamide?
The IUPAC name of 4-amino-5-benzoyl-N-[3-(trifluoromethyl)phenyl]-1,2-oxazole-3-carboxamide (CID 7348563) is 4-amino-5-benzoyl-N-[3-(trifluoromethyl)phenyl]-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 4-amino-5-benzoyl-N-[3-(trifluoromethyl)phenyl]-1,2-oxazole-3-carboxamide?
The canonical SMILES for 4-amino-5-benzoyl-N-[3-(trifluoromethyl)phenyl]-1,2-oxazole-3-carboxamide is Nc1c(C(=O)Nc2cccc(C(F)(F)F)c2)noc1C(=O)c1ccccc1.
What is the InChIKey of 4-amino-5-benzoyl-N-[3-(trifluoromethyl)phenyl]-1,2-oxazole-3-carboxamide?
The InChIKey is RCBCBIDYGNEFOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12F3N3O3/c19-18(20,21)11-7-4-8-12(9-11)23-17(26)14-13(22)16(27-24-14)15(25)10-5-2-1-3-6-10/h1-9H,22H2,(H,23,26).
What are the key properties of 4-amino-5-benzoyl-N-[3-(trifluoromethyl)phenyl]-1,2-oxazole-3-carboxamide?
4-amino-5-benzoyl-N-[3-(trifluoromethyl)phenyl]-1,2-oxazole-3-carboxamide has a molecular weight of 375.31 g/mol, XLogP of 3.76, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-benzoyl-N-[3-(trifluoromethyl)phenyl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 7348563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).