2-[(5-methyl-1,2-oxazol-3-yl)amino]-N-[3-(trifluoromethyl)phenyl]acetamide

C13H12F3N3O2 — CID 109009780

IUPAC2-[(5-methyl-1,2-oxazol-3-yl)amino]-N-[3-(trifluoromethyl)phenyl]acetamide
SMILESCc1cc(NCC(=O)Nc2cccc(C(F)(F)F)c2)no1
InChIInChI=1S/C13H12F3N3O2/c1-8-5-11(19-21-8)17-7-12(20)18-10-4-2-3-9(6-10)13(14,15)16/h2-6H,7H2,1H3,(H,17,19)(H,18,20)
InChIKeyRGKCGXZLDXFUPR-UHFFFAOYSA-N
MW299.25 g/mol
LogP3.05
Rot. Bonds4

About 2-[(5-methyl-1,2-oxazol-3-yl)amino]-N-[3-(trifluoromethyl)phenyl]acetamide

2-[(5-methyl-1,2-oxazol-3-yl)amino]-N-[3-(trifluoromethyl)phenyl]acetamide (PubChem CID 109009780) has the molecular formula C13H12F3N3O2 and a molecular weight of 299.25 g/mol. Its IUPAC name is 2-[(5-methyl-1,2-oxazol-3-yl)amino]-N-[3-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-[(5-methyl-1,2-oxazol-3-yl)amino]-N-[3-(trifluoromethyl)phenyl]acetamide
PubChem CID109009780
Molecular FormulaC13H12F3N3O2
Molecular Weight299.25 g/mol
Exact Mass299.09
IUPAC Name2-[(5-methyl-1,2-oxazol-3-yl)amino]-N-[3-(trifluoromethyl)phenyl]acetamide
SMILESCc1cc(NCC(=O)Nc2cccc(C(F)(F)F)c2)no1
InChIInChI=1S/C13H12F3N3O2/c1-8-5-11(19-21-8)17-7-12(20)18-10-4-2-3-9(6-10)13(14,15)16/h2-6H,7H2,1H3,(H,17,19)(H,18,20)
InChIKeyRGKCGXZLDXFUPR-UHFFFAOYSA-N
XLogP3.05
TPSA67.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.25
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(5-methyl-1,2-oxazol-3-yl)-3-[3-(trifluoromethyl)phenyl]urea
CID 978129
4-N-(5-methyl-1,2-oxazol-3-yl)-1-N-[3-(trifluoromethyl)phenyl]benzene-1,4-dicarboxamide
CID 109050141
1-N'-(5-methyl-1,2-oxazol-3-yl)-1-N-[3-(trifluoromethyl)phenyl]cyclopropane-1,1-dicarboxamide
CID 108983378
N-(3-methylphenyl)-2-[3-(trifluoromethyl)anilino]acetamide
CID 7409922
N-(3,4-dichlorophenyl)-2-[3-(trifluoromethyl)anilino]acetamide
CID 7922707
2-(4-propan-2-yloxyanilino)-N-[3-(trifluoromethyl)phenyl]acetamide
CID 54822451
2-(5,6-dimethyl-1,2-benzoxazol-3-yl)-N-[3-(trifluoromethyl)phenyl]acetamide
CID 108791948
4-N-(5-methyl-1,2-oxazol-3-yl)-2-N-[3-(trifluoromethyl)phenyl]pyridine-2,4-dicarboxamide
CID 109093176
N-(3,4-difluorophenyl)-2-[3-(trifluoromethyl)anilino]acetamide
CID 7409925
3-[[2-[3-(trifluoromethyl)anilino]acetyl]amino]benzamide
CID 54833567
2-[3-ethoxypropyl-[[3-(trifluoromethyl)phenyl]carbamoyl]amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 3637081
2-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanyl-N-[4-(trifluoromethyl)phenyl]acetamide
CID 26699893

Frequently Asked Questions

What is the IUPAC name of 2-[(5-methyl-1,2-oxazol-3-yl)amino]-N-[3-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of 2-[(5-methyl-1,2-oxazol-3-yl)amino]-N-[3-(trifluoromethyl)phenyl]acetamide (CID 109009780) is 2-[(5-methyl-1,2-oxazol-3-yl)amino]-N-[3-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for 2-[(5-methyl-1,2-oxazol-3-yl)amino]-N-[3-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for 2-[(5-methyl-1,2-oxazol-3-yl)amino]-N-[3-(trifluoromethyl)phenyl]acetamide is Cc1cc(NCC(=O)Nc2cccc(C(F)(F)F)c2)no1.
What is the InChIKey of 2-[(5-methyl-1,2-oxazol-3-yl)amino]-N-[3-(trifluoromethyl)phenyl]acetamide?
The InChIKey is RGKCGXZLDXFUPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F3N3O2/c1-8-5-11(19-21-8)17-7-12(20)18-10-4-2-3-9(6-10)13(14,15)16/h2-6H,7H2,1H3,(H,17,19)(H,18,20).
What are the key properties of 2-[(5-methyl-1,2-oxazol-3-yl)amino]-N-[3-(trifluoromethyl)phenyl]acetamide?
2-[(5-methyl-1,2-oxazol-3-yl)amino]-N-[3-(trifluoromethyl)phenyl]acetamide has a molecular weight of 299.25 g/mol, XLogP of 3.05, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-methyl-1,2-oxazol-3-yl)amino]-N-[3-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 109009780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).