3-[1-(4-chlorophenyl)triazol-4-yl]-N-propyl-1,2,4-oxadiazole-5-carboxamide

C14H13ClN6O2 — CID 53170387

IUPAC3-[1-(4-chlorophenyl)triazol-4-yl]-N-propyl-1,2,4-oxadiazole-5-carboxamide
SMILESCCCNC(=O)c1nc(-c2cn(-c3ccc(Cl)cc3)nn2)no1
InChIInChI=1S/C14H13ClN6O2/c1-2-7-16-13(22)14-17-12(19-23-14)11-8-21(20-18-11)10-5-3-9(15)4-6-10/h3-6,8H,2,7H2,1H3,(H,16,22)
InChIKeyRWADIEOBTDRUJZ-UHFFFAOYSA-N
MW332.75 g/mol
LogP2.11
Rot. Bonds5

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

3-[1-(4-chlorophenyl)triazol-4-yl]-N-propyl-1,2,4-oxadiazole-5-carboxamide (PubChem CID 53170387) has the molecular formula C14H13ClN6O2 and a molecular weight of 332.75 g/mol. Its IUPAC name is 3-[1-(4-chlorophenyl)triazol-4-yl]-N-propyl-1,2,4-oxadiazole-5-carboxamide.

Molecular Properties

Compound Name3-[1-(4-chlorophenyl)triazol-4-yl]-N-propyl-1,2,4-oxadiazole-5-carboxamide
PubChem CID53170387
Molecular FormulaC14H13ClN6O2
Molecular Weight332.75 g/mol
Exact Mass332.08
IUPAC Name3-[1-(4-chlorophenyl)triazol-4-yl]-N-propyl-1,2,4-oxadiazole-5-carboxamide
SMILESCCCNC(=O)c1nc(-c2cn(-c3ccc(Cl)cc3)nn2)no1
InChIInChI=1S/C14H13ClN6O2/c1-2-7-16-13(22)14-17-12(19-23-14)11-8-21(20-18-11)10-5-3-9(15)4-6-10/h3-6,8H,2,7H2,1H3,(H,16,22)
InChIKeyRWADIEOBTDRUJZ-UHFFFAOYSA-N
XLogP2.11
TPSA98.73 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.75
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3-[1-(4-chlorophenyl)triazol-4-yl]-N-[(2-methoxyphenyl)methyl]-1,2,4-oxadiazole-5-carboxamide
CID 53170395
N-(4-methylphenyl)-3-[1-(4-methylphenyl)triazol-4-yl]-1,2,4-oxadiazole-5-carboxamide
CID 53170232
3-[1-(4-chlorophenyl)-3-methylpyrazol-4-yl]-N-(2-methoxyethyl)-1,2,4-oxadiazole-5-carboxamide
CID 20931834
N-[(4-fluorophenyl)methyl]-3-(1-phenyltriazol-4-yl)-1,2,4-oxadiazole-5-carboxamide
CID 53170354
3-[1-(3-chlorophenyl)triazol-4-yl]-N-cyclopropyl-1,2,4-oxadiazole-5-carboxamide
CID 53170403
N-[(4-ethylphenyl)methyl]-3-[1-(3-fluorophenyl)triazol-4-yl]-1,2,4-oxadiazole-5-carboxamide
CID 53170381
N-[(2-chlorophenyl)methyl]-3-[1-(3-fluorophenyl)triazol-4-yl]-1,2,4-oxadiazole-5-carboxamide
CID 53170384
N-propyl-3-(4-pyrrolidin-1-ylphenyl)-1,2,4-oxadiazole-5-carboxamide
CID 50827969
N-(3-bromophenyl)-3-[1-(4-methylphenyl)triazol-4-yl]-1,2,4-oxadiazole-5-carboxamide
CID 53170247
3-[1-(4-chlorophenyl)-3-methylpyrazol-4-yl]-N-[(5-methylfuran-2-yl)methyl]-1,2,4-oxadiazole-5-carboxamide
CID 20931843
N-(3,4-dimethylphenyl)-3-[1-(3-fluorophenyl)triazol-4-yl]-1,2,4-oxadiazole-5-carboxamide
CID 53170276
1-[1-(4-chlorophenyl)triazol-4-yl]propan-2-one
CID 117167684

Frequently Asked Questions

What is the IUPAC name of 3-[1-(4-chlorophenyl)triazol-4-yl]-N-propyl-1,2,4-oxadiazole-5-carboxamide?
The IUPAC name of 3-[1-(4-chlorophenyl)triazol-4-yl]-N-propyl-1,2,4-oxadiazole-5-carboxamide (CID 53170387) is 3-[1-(4-chlorophenyl)triazol-4-yl]-N-propyl-1,2,4-oxadiazole-5-carboxamide.
What is the SMILES notation for 3-[1-(4-chlorophenyl)triazol-4-yl]-N-propyl-1,2,4-oxadiazole-5-carboxamide?
The canonical SMILES for 3-[1-(4-chlorophenyl)triazol-4-yl]-N-propyl-1,2,4-oxadiazole-5-carboxamide is CCCNC(=O)c1nc(-c2cn(-c3ccc(Cl)cc3)nn2)no1.
What is the InChIKey of 3-[1-(4-chlorophenyl)triazol-4-yl]-N-propyl-1,2,4-oxadiazole-5-carboxamide?
The InChIKey is RWADIEOBTDRUJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN6O2/c1-2-7-16-13(22)14-17-12(19-23-14)11-8-21(20-18-11)10-5-3-9(15)4-6-10/h3-6,8H,2,7H2,1H3,(H,16,22).
What are the key properties of 3-[1-(4-chlorophenyl)triazol-4-yl]-N-propyl-1,2,4-oxadiazole-5-carboxamide?
3-[1-(4-chlorophenyl)triazol-4-yl]-N-propyl-1,2,4-oxadiazole-5-carboxamide has a molecular weight of 332.75 g/mol, XLogP of 2.11, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(4-chlorophenyl)triazol-4-yl]-N-propyl-1,2,4-oxadiazole-5-carboxamide is sourced from PubChem (CID 53170387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).