3-(4-chlorophenyl)-5-[2-(1,2,4-triazol-1-yl)propan-2-yl]-1,2,4-oxadiazole

C13H12ClN5O — CID 110170511

IUPAC3-(4-chlorophenyl)-5-[2-(1,2,4-triazol-1-yl)propan-2-yl]-1,2,4-oxadiazole
SMILESCC(C)(c1nc(-c2ccc(Cl)cc2)no1)n1cncn1
InChIInChI=1S/C13H12ClN5O/c1-13(2,19-8-15-7-16-19)12-17-11(18-20-12)9-3-5-10(14)6-4-9/h3-8H,1-2H3
InChIKeyGDOLSXKKNSGCAP-UHFFFAOYSA-N
MW289.73 g/mol
LogP2.76
Rot. Bonds3

About 3-(4-chlorophenyl)-5-[2-(1,2,4-triazol-1-yl)propan-2-yl]-1,2,4-oxadiazole

3-(4-chlorophenyl)-5-[2-(1,2,4-triazol-1-yl)propan-2-yl]-1,2,4-oxadiazole (PubChem CID 110170511) has the molecular formula C13H12ClN5O and a molecular weight of 289.73 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-5-[2-(1,2,4-triazol-1-yl)propan-2-yl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(4-chlorophenyl)-5-[2-(1,2,4-triazol-1-yl)propan-2-yl]-1,2,4-oxadiazole
PubChem CID110170511
Molecular FormulaC13H12ClN5O
Molecular Weight289.73 g/mol
Exact Mass289.07
IUPAC Name3-(4-chlorophenyl)-5-[2-(1,2,4-triazol-1-yl)propan-2-yl]-1,2,4-oxadiazole
SMILESCC(C)(c1nc(-c2ccc(Cl)cc2)no1)n1cncn1
InChIInChI=1S/C13H12ClN5O/c1-13(2,19-8-15-7-16-19)12-17-11(18-20-12)9-3-5-10(14)6-4-9/h3-8H,1-2H3
InChIKeyGDOLSXKKNSGCAP-UHFFFAOYSA-N
XLogP2.76
TPSA69.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.73
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 3-(4-chlorophenyl)-5-[2-(1,2,4-triazol-1-yl)propan-2-yl]-1,2,4-oxadiazole with MolForge

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Related Compounds

3-(4-chlorophenyl)-5-(1,2,4-triazol-1-ylmethyl)-1,2,4-oxadiazole
CID 16736460
5-tert-butyl-3-(4-chlorophenyl)-4-(1,2,4-triazol-1-yl)-1,2-oxazole
CID 141270233
3-(4-chlorophenyl)-5-methyl-1,2,4-oxadiazole
CID 684002
3-[3-fluoro-4-(1,2,4-triazol-1-ylmethyl)phenyl]-5-(trifluoromethyl)-1,2,4-oxadiazole
CID 139532683
3-(4-fluorophenyl)-5-[2-(4-nitropyrazol-1-yl)propan-2-yl]-1,2,4-oxadiazole
CID 19326333
3-[3-chloro-4-(1,2,4-triazol-1-ylmethyl)phenyl]-5-(trifluoromethyl)-1,2,4-oxadiazole
CID 139532593
5-(bromomethyl)-3-(4-chlorophenyl)-1,2,4-oxadiazole
CID 59402660
5-(4-chlorophenyl)-3-pyridin-4-yl-1,2,4-oxadiazole
CID 750618
4-(5-tert-butyl-1,2,4-oxadiazol-3-yl)phenol
CID 135981395
4-chloro-N-[2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propan-2-yl]benzamide
CID 134337628
N-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-2,2-dimethylpropanamide
CID 2991645
3-(4-chlorophenyl)-5-(4-methylpyrimidin-5-yl)-1,2,4-oxadiazole
CID 99963017

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-5-[2-(1,2,4-triazol-1-yl)propan-2-yl]-1,2,4-oxadiazole?
The IUPAC name of 3-(4-chlorophenyl)-5-[2-(1,2,4-triazol-1-yl)propan-2-yl]-1,2,4-oxadiazole (CID 110170511) is 3-(4-chlorophenyl)-5-[2-(1,2,4-triazol-1-yl)propan-2-yl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-(4-chlorophenyl)-5-[2-(1,2,4-triazol-1-yl)propan-2-yl]-1,2,4-oxadiazole?
The canonical SMILES for 3-(4-chlorophenyl)-5-[2-(1,2,4-triazol-1-yl)propan-2-yl]-1,2,4-oxadiazole is CC(C)(c1nc(-c2ccc(Cl)cc2)no1)n1cncn1.
What is the InChIKey of 3-(4-chlorophenyl)-5-[2-(1,2,4-triazol-1-yl)propan-2-yl]-1,2,4-oxadiazole?
The InChIKey is GDOLSXKKNSGCAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClN5O/c1-13(2,19-8-15-7-16-19)12-17-11(18-20-12)9-3-5-10(14)6-4-9/h3-8H,1-2H3.
What are the key properties of 3-(4-chlorophenyl)-5-[2-(1,2,4-triazol-1-yl)propan-2-yl]-1,2,4-oxadiazole?
3-(4-chlorophenyl)-5-[2-(1,2,4-triazol-1-yl)propan-2-yl]-1,2,4-oxadiazole has a molecular weight of 289.73 g/mol, XLogP of 2.76, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-5-[2-(1,2,4-triazol-1-yl)propan-2-yl]-1,2,4-oxadiazole is sourced from PubChem (CID 110170511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).