3-amino-N-[4-cyano-3-(trifluoromethyl)phenyl]oxolane-3-carboxamide

C13H12F3N3O2 — CID 65485523

IUPAC3-amino-N-[4-cyano-3-(trifluoromethyl)phenyl]oxolane-3-carboxamide
SMILESN#Cc1ccc(NC(=O)C2(N)CCOC2)cc1C(F)(F)F
InChIInChI=1S/C13H12F3N3O2/c14-13(15,16)10-5-9(2-1-8(10)6-17)19-11(20)12(18)3-4-21-7-12/h1-2,5H,3-4,7,18H2,(H,19,20)
InChIKeyUSSUUQVGZUVVPE-UHFFFAOYSA-N
MW299.25 g/mol
LogP1.63
Rot. Bonds2

About 3-amino-N-[4-cyano-3-(trifluoromethyl)phenyl]oxolane-3-carboxamide

3-amino-N-[4-cyano-3-(trifluoromethyl)phenyl]oxolane-3-carboxamide (PubChem CID 65485523) has the molecular formula C13H12F3N3O2 and a molecular weight of 299.25 g/mol. Its IUPAC name is 3-amino-N-[4-cyano-3-(trifluoromethyl)phenyl]oxolane-3-carboxamide.

Molecular Properties

Compound Name3-amino-N-[4-cyano-3-(trifluoromethyl)phenyl]oxolane-3-carboxamide
PubChem CID65485523
Molecular FormulaC13H12F3N3O2
Molecular Weight299.25 g/mol
Exact Mass299.09
IUPAC Name3-amino-N-[4-cyano-3-(trifluoromethyl)phenyl]oxolane-3-carboxamide
SMILESN#Cc1ccc(NC(=O)C2(N)CCOC2)cc1C(F)(F)F
InChIInChI=1S/C13H12F3N3O2/c14-13(15,16)10-5-9(2-1-8(10)6-17)19-11(20)12(18)3-4-21-7-12/h1-2,5H,3-4,7,18H2,(H,19,20)
InChIKeyUSSUUQVGZUVVPE-UHFFFAOYSA-N
XLogP1.63
TPSA88.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.25
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-N-[4-fluoro-3-(trifluoromethyl)phenyl]oxane-4-carboxamide
CID 115294569
4-amino-N-(3-cyano-4-fluorophenyl)oxane-4-carboxamide
CID 115294803
3-amino-N-(2-cyano-4-fluorophenyl)oxolane-3-carboxamide
CID 82016621
4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-[4-cyano-3-(trifluoromethyl)phenyl]oxane-4-carboxamide
CID 57405879
3-amino-N-[6-(trifluoromethyl)-3-pyridinyl]oxolane-3-carboxamide
CID 82817640
3-amino-N-(3,4-dimethylphenyl)oxolane-3-carboxamide
CID 64891886
3-amino-N-(4-carbamoylphenyl)oxolane-3-carboxamide
CID 64891880
4-[(3-aminooxolane-3-carbonyl)amino]-2-fluorobenzoic acid
CID 103869180
3-[4-cyano-3-(trifluoromethyl)anilino]-3-oxopropanoic acid
CID 65484763
N-[4-cyano-3-(trifluoromethyl)phenyl]-3,5-dimethyl-2,4-dihydropyrrole-3-carboxamide
CID 157177699
4-[(3-aminooxolane-3-carbonyl)amino]-2-hydroxybenzoic acid
CID 64892164
3-amino-N-[4-cyano-3-(trifluoromethyl)phenyl]-3-methylbutanamide
CID 65483573

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[4-cyano-3-(trifluoromethyl)phenyl]oxolane-3-carboxamide?
The IUPAC name of 3-amino-N-[4-cyano-3-(trifluoromethyl)phenyl]oxolane-3-carboxamide (CID 65485523) is 3-amino-N-[4-cyano-3-(trifluoromethyl)phenyl]oxolane-3-carboxamide.
What is the SMILES notation for 3-amino-N-[4-cyano-3-(trifluoromethyl)phenyl]oxolane-3-carboxamide?
The canonical SMILES for 3-amino-N-[4-cyano-3-(trifluoromethyl)phenyl]oxolane-3-carboxamide is N#Cc1ccc(NC(=O)C2(N)CCOC2)cc1C(F)(F)F.
What is the InChIKey of 3-amino-N-[4-cyano-3-(trifluoromethyl)phenyl]oxolane-3-carboxamide?
The InChIKey is USSUUQVGZUVVPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F3N3O2/c14-13(15,16)10-5-9(2-1-8(10)6-17)19-11(20)12(18)3-4-21-7-12/h1-2,5H,3-4,7,18H2,(H,19,20).
What are the key properties of 3-amino-N-[4-cyano-3-(trifluoromethyl)phenyl]oxolane-3-carboxamide?
3-amino-N-[4-cyano-3-(trifluoromethyl)phenyl]oxolane-3-carboxamide has a molecular weight of 299.25 g/mol, XLogP of 1.63, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[4-cyano-3-(trifluoromethyl)phenyl]oxolane-3-carboxamide is sourced from PubChem (CID 65485523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).