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

C11H6F3N5O2 — CID 62688499

IUPAC4-amino-N-[4-cyano-2-(trifluoromethyl)phenyl]-1,2,5-oxadiazole-3-carboxamide
SMILESN#Cc1ccc(NC(=O)c2nonc2N)c(C(F)(F)F)c1
InChIInChI=1S/C11H6F3N5O2/c12-11(13,14)6-3-5(4-15)1-2-7(6)17-10(20)8-9(16)19-21-18-8/h1-3H,(H2,16,19)(H,17,20)
InChIKeyGYNRDPLXCFUZJV-UHFFFAOYSA-N
MW297.20 g/mol
LogP1.79
Rot. Bonds2

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

4-amino-N-[4-cyano-2-(trifluoromethyl)phenyl]-1,2,5-oxadiazole-3-carboxamide (PubChem CID 62688499) has the molecular formula C11H6F3N5O2 and a molecular weight of 297.20 g/mol. Its IUPAC name is 4-amino-N-[4-cyano-2-(trifluoromethyl)phenyl]-1,2,5-oxadiazole-3-carboxamide.

Molecular Properties

Compound Name4-amino-N-[4-cyano-2-(trifluoromethyl)phenyl]-1,2,5-oxadiazole-3-carboxamide
PubChem CID62688499
Molecular FormulaC11H6F3N5O2
Molecular Weight297.20 g/mol
Exact Mass297.05
IUPAC Name4-amino-N-[4-cyano-2-(trifluoromethyl)phenyl]-1,2,5-oxadiazole-3-carboxamide
SMILESN#Cc1ccc(NC(=O)c2nonc2N)c(C(F)(F)F)c1
InChIInChI=1S/C11H6F3N5O2/c12-11(13,14)6-3-5(4-15)1-2-7(6)17-10(20)8-9(16)19-21-18-8/h1-3H,(H2,16,19)(H,17,20)
InChIKeyGYNRDPLXCFUZJV-UHFFFAOYSA-N
XLogP1.79
TPSA117.83 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.20
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-amino-N-(2-chloro-4-cyanophenyl)-1,2,5-oxadiazole-3-carboxamide
CID 107808049
2-amino-N-[4-cyano-2-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide
CID 62788040
5-bromo-N-[4-cyano-2-(trifluoromethyl)phenyl]thiophene-2-carboxamide
CID 60705604
ethyl N-[4-cyano-2-(trifluoromethyl)phenyl]carbamate
CID 64591088
N-[4-cyano-2-(trifluoromethyl)phenyl]propanamide
CID 60705592
2-amino-N-[4-cyano-2-(trifluoromethyl)phenyl]-3,3-dimethylbutanamide
CID 76888025
4-amino-N-[4-cyano-2-(trifluoromethyl)phenyl]butanamide
CID 43703864
N-[4-chloro-2-(trifluoromethyl)phenyl]-4-methyl-1,2,5-oxadiazole-3-carboxamide
CID 110692014
1-amino-N-[4-cyano-2-(trifluoromethyl)phenyl]cyclobutane-1-carboxamide
CID 81179376
N-[4-cyano-2-(trifluoromethyl)phenyl]-2-(methylamino)propanamide
CID 62637842
4-amino-N-[4-cyano-2-(trifluoromethyl)phenyl]-2-methylbutanamide
CID 80543421
N-[4-cyano-2-(trifluoromethyl)phenyl]formamide
CID 64992328

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[4-cyano-2-(trifluoromethyl)phenyl]-1,2,5-oxadiazole-3-carboxamide?
The IUPAC name of 4-amino-N-[4-cyano-2-(trifluoromethyl)phenyl]-1,2,5-oxadiazole-3-carboxamide (CID 62688499) is 4-amino-N-[4-cyano-2-(trifluoromethyl)phenyl]-1,2,5-oxadiazole-3-carboxamide.
What is the SMILES notation for 4-amino-N-[4-cyano-2-(trifluoromethyl)phenyl]-1,2,5-oxadiazole-3-carboxamide?
The canonical SMILES for 4-amino-N-[4-cyano-2-(trifluoromethyl)phenyl]-1,2,5-oxadiazole-3-carboxamide is N#Cc1ccc(NC(=O)c2nonc2N)c(C(F)(F)F)c1.
What is the InChIKey of 4-amino-N-[4-cyano-2-(trifluoromethyl)phenyl]-1,2,5-oxadiazole-3-carboxamide?
The InChIKey is GYNRDPLXCFUZJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6F3N5O2/c12-11(13,14)6-3-5(4-15)1-2-7(6)17-10(20)8-9(16)19-21-18-8/h1-3H,(H2,16,19)(H,17,20).
What are the key properties of 4-amino-N-[4-cyano-2-(trifluoromethyl)phenyl]-1,2,5-oxadiazole-3-carboxamide?
4-amino-N-[4-cyano-2-(trifluoromethyl)phenyl]-1,2,5-oxadiazole-3-carboxamide has a molecular weight of 297.20 g/mol, XLogP of 1.79, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[4-cyano-2-(trifluoromethyl)phenyl]-1,2,5-oxadiazole-3-carboxamide is sourced from PubChem (CID 62688499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).