5-[(5-cyclopropyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-3-phenyl-1,2,4-oxadiazole

C14H13N5OS — CID 18144154

IUPAC5-[(5-cyclopropyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-3-phenyl-1,2,4-oxadiazole
SMILESc1ccc(-c2noc(CSc3n[nH]c(C4CC4)n3)n2)cc1
InChIInChI=1S/C14H13N5OS/c1-2-4-9(5-3-1)13-15-11(20-19-13)8-21-14-16-12(17-18-14)10-6-7-10/h1-5,10H,6-8H2,(H,16,17,18)
InChIKeyOEKVUVJGVUGYCN-UHFFFAOYSA-N
MW299.36 g/mol
LogP3.02
Rot. Bonds5

About 5-[(5-cyclopropyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-3-phenyl-1,2,4-oxadiazole

5-[(5-cyclopropyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-3-phenyl-1,2,4-oxadiazole (PubChem CID 18144154) has the molecular formula C14H13N5OS and a molecular weight of 299.36 g/mol. Its IUPAC name is 5-[(5-cyclopropyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-3-phenyl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[(5-cyclopropyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-3-phenyl-1,2,4-oxadiazole
PubChem CID18144154
Molecular FormulaC14H13N5OS
Molecular Weight299.36 g/mol
Exact Mass299.08
IUPAC Name5-[(5-cyclopropyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-3-phenyl-1,2,4-oxadiazole
SMILESc1ccc(-c2noc(CSc3n[nH]c(C4CC4)n3)n2)cc1
InChIInChI=1S/C14H13N5OS/c1-2-4-9(5-3-1)13-15-11(20-19-13)8-21-14-16-12(17-18-14)10-6-7-10/h1-5,10H,6-8H2,(H,16,17,18)
InChIKeyOEKVUVJGVUGYCN-UHFFFAOYSA-N
XLogP3.02
TPSA80.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.36
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5-[(5-cyclopropyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-3-phenyl-1,2,4-oxadiazole with MolForge

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Related Compounds

5-[(5-cyclopropyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-3-(2-methylphenyl)-1,2,4-oxadiazole
CID 18144165
5-[(5-cyclopropyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-3-(3-nitrophenyl)-1,2,4-oxadiazole
CID 39073389
5-[(5-cyclopropyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-3-methyl-1,2,4-oxadiazole
CID 18166650
3-(4-chlorophenyl)-5-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-1,2,4-oxadiazole
CID 8535952
5-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-3-thiophen-3-yl-1,2,4-oxadiazole
CID 8738960
5-cyclopropyl-3-phenyl-1H-1,2,4-triazole
CID 61338880
5-[(4-methyl-6-phenylpyrimidin-2-yl)sulfanylmethyl]-3-phenyl-1,2,4-oxadiazole
CID 8731229
N-cyclopropyl-2-[(3-phenyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]quinazolin-4-amine
CID 18269220
5-cyclopropyl-3-[(2,3-difluorophenyl)methylsulfanyl]-1H-1,2,4-triazole
CID 18145325
3-[(5-cyclopropyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-5-(furan-2-yl)-1,2-oxazole
CID 18144180
3-[[3-(4-tert-butylphenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]-1H-1,2,4-triazol-5-amine
CID 2743357
5-[(4-chlorophenyl)sulfanylmethyl]-3-phenyl-1,2,4-oxadiazole
CID 27210901

Frequently Asked Questions

What is the IUPAC name of 5-[(5-cyclopropyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-3-phenyl-1,2,4-oxadiazole?
The IUPAC name of 5-[(5-cyclopropyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-3-phenyl-1,2,4-oxadiazole (CID 18144154) is 5-[(5-cyclopropyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-3-phenyl-1,2,4-oxadiazole.
What is the SMILES notation for 5-[(5-cyclopropyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-3-phenyl-1,2,4-oxadiazole?
The canonical SMILES for 5-[(5-cyclopropyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-3-phenyl-1,2,4-oxadiazole is c1ccc(-c2noc(CSc3n[nH]c(C4CC4)n3)n2)cc1.
What is the InChIKey of 5-[(5-cyclopropyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-3-phenyl-1,2,4-oxadiazole?
The InChIKey is OEKVUVJGVUGYCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N5OS/c1-2-4-9(5-3-1)13-15-11(20-19-13)8-21-14-16-12(17-18-14)10-6-7-10/h1-5,10H,6-8H2,(H,16,17,18).
What are the key properties of 5-[(5-cyclopropyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-3-phenyl-1,2,4-oxadiazole?
5-[(5-cyclopropyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-3-phenyl-1,2,4-oxadiazole has a molecular weight of 299.36 g/mol, XLogP of 3.02, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(5-cyclopropyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-3-phenyl-1,2,4-oxadiazole is sourced from PubChem (CID 18144154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).