N-[2-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]-1,2-oxazole-5-carboxamide

C18H12F3N3O3 — CID 90010773

IUPACN-[2-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]-1,2-oxazole-5-carboxamide
SMILESO=C(Nc1ccccc1C(=O)Nc1cccc(C(F)(F)F)c1)c1ccno1
InChIInChI=1S/C18H12F3N3O3/c19-18(20,21)11-4-3-5-12(10-11)23-16(25)13-6-1-2-7-14(13)24-17(26)15-8-9-22-27-15/h1-10H,(H,23,25)(H,24,26)
InChIKeyUAFOUFFGKXPUIQ-UHFFFAOYSA-N
MW375.31 g/mol
LogP4.20
Rot. Bonds4

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

N-[2-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]-1,2-oxazole-5-carboxamide (PubChem CID 90010773) has the molecular formula C18H12F3N3O3 and a molecular weight of 375.31 g/mol. Its IUPAC name is N-[2-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-[2-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]-1,2-oxazole-5-carboxamide
PubChem CID90010773
Molecular FormulaC18H12F3N3O3
Molecular Weight375.31 g/mol
Exact Mass375.08
IUPAC NameN-[2-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]-1,2-oxazole-5-carboxamide
SMILESO=C(Nc1ccccc1C(=O)Nc1cccc(C(F)(F)F)c1)c1ccno1
InChIInChI=1S/C18H12F3N3O3/c19-18(20,21)11-4-3-5-12(10-11)23-16(25)13-6-1-2-7-14(13)24-17(26)15-8-9-22-27-15/h1-10H,(H,23,25)(H,24,26)
InChIKeyUAFOUFFGKXPUIQ-UHFFFAOYSA-N
XLogP4.20
TPSA84.23 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.31
LogP ≤ 54.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

T56-LIMKi
CID 9438169
N-(2-methylphenyl)-1,2-oxazole-5-carboxamide
CID 7996638
N-(4'-{[(Cyclopropylmethyl)amino]carbonyl}-6-methyl-1,1'-biphenyl-3-yl)isoxazole-5-carboxamide
CID 44578461
N-[5-[[4-[(4-ethylpiperazino)methyl]-3-(trifluoromethyl)phenyl]carbamoyl]-2-methyl-phenyl]isoxazole-5-carboxamide
CID 16745811
N-[2-methyl-5-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]isoxazole-5-carboxamide
CID 16745822
N-(5-(4-((4-ethylpiperazin-1-yl)methyl)-3-(trifluoromethyl)phenylcarbamoyl)-2-methylphenyl)isoxazole-5-carboxamide 2,2,2-trifluoroacetate
CID 46902906
N-methyl-N-[3-[2-methyl-5-phenyl-3-[[3-(trifluoromethyl)phenyl]carbamoyl]pyrrol-1-yl]propyl]-1,2-oxazole-5-carboxamide
CID 89946572
N-[3-[[4-(cyclohexylcarbamoyl)piperidin-1-yl]methyl]phenyl]-1,2-oxazole-5-carboxamide
CID 129626030
5-Methyl-N-[2-(trifluoromethyl)phenyl]isoxazole-4-carboxamide
CID 21912858
5-Methyl-N-(3-(trifluoromethyl)phenyl)isoxazole-4-carboxamide
CID 7314718
Isoxazole-5-carboxylic acid (cyclopentylcarbamoyl-phenyl-methyl)-phenyl-amide
CID 3210624
N-(2-methyl-5-(3-(trifluoromethyl)phenylcarbamoyl)phenyl)isoxazole-5-carboxamide 2,2,2-trifluoroacetate
CID 46902897

Frequently Asked Questions

What is the IUPAC name of N-[2-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]-1,2-oxazole-5-carboxamide?
The IUPAC name of N-[2-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]-1,2-oxazole-5-carboxamide (CID 90010773) is N-[2-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]-1,2-oxazole-5-carboxamide.
What is the SMILES notation for N-[2-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]-1,2-oxazole-5-carboxamide?
The canonical SMILES for N-[2-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]-1,2-oxazole-5-carboxamide is O=C(Nc1ccccc1C(=O)Nc1cccc(C(F)(F)F)c1)c1ccno1.
What is the InChIKey of N-[2-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]-1,2-oxazole-5-carboxamide?
The InChIKey is UAFOUFFGKXPUIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12F3N3O3/c19-18(20,21)11-4-3-5-12(10-11)23-16(25)13-6-1-2-7-14(13)24-17(26)15-8-9-22-27-15/h1-10H,(H,23,25)(H,24,26).
What are the key properties of N-[2-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]-1,2-oxazole-5-carboxamide?
N-[2-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]-1,2-oxazole-5-carboxamide has a molecular weight of 375.31 g/mol, XLogP of 4.20, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 90010773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).