5-cyclopropyl-3-[[1-(4-methylphenyl)tetrazol-5-yl]sulfanylmethyl]-1,2,4-oxadiazole

C14H14N6OS — CID 60563929

IUPAC5-cyclopropyl-3-[[1-(4-methylphenyl)tetrazol-5-yl]sulfanylmethyl]-1,2,4-oxadiazole
SMILESCc1ccc(-n2nnnc2SCc2noc(C3CC3)n2)cc1
InChIInChI=1S/C14H14N6OS/c1-9-2-6-11(7-3-9)20-14(16-18-19-20)22-8-12-15-13(21-17-12)10-4-5-10/h2-3,6-7,10H,4-5,8H2,1H3
InChIKeyAYGFWGMMZKNRMI-UHFFFAOYSA-N
MW314.37 g/mol
LogP2.52
Rot. Bonds5

About 5-cyclopropyl-3-[[1-(4-methylphenyl)tetrazol-5-yl]sulfanylmethyl]-1,2,4-oxadiazole

5-cyclopropyl-3-[[1-(4-methylphenyl)tetrazol-5-yl]sulfanylmethyl]-1,2,4-oxadiazole (PubChem CID 60563929) has the molecular formula C14H14N6OS and a molecular weight of 314.37 g/mol. Its IUPAC name is 5-cyclopropyl-3-[[1-(4-methylphenyl)tetrazol-5-yl]sulfanylmethyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-cyclopropyl-3-[[1-(4-methylphenyl)tetrazol-5-yl]sulfanylmethyl]-1,2,4-oxadiazole
PubChem CID60563929
Molecular FormulaC14H14N6OS
Molecular Weight314.37 g/mol
Exact Mass314.09
IUPAC Name5-cyclopropyl-3-[[1-(4-methylphenyl)tetrazol-5-yl]sulfanylmethyl]-1,2,4-oxadiazole
SMILESCc1ccc(-n2nnnc2SCc2noc(C3CC3)n2)cc1
InChIInChI=1S/C14H14N6OS/c1-9-2-6-11(7-3-9)20-14(16-18-19-20)22-8-12-15-13(21-17-12)10-4-5-10/h2-3,6-7,10H,4-5,8H2,1H3
InChIKeyAYGFWGMMZKNRMI-UHFFFAOYSA-N
XLogP2.52
TPSA82.52 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.37
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 5-cyclopropyl-3-[[1-(4-methylphenyl)tetrazol-5-yl]sulfanylmethyl]-1,2,4-oxadiazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-cyclopropyl-3-[[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanylmethyl]-1,2,4-oxadiazole
CID 60564102
2-[1-(4-methylphenyl)tetrazol-5-yl]sulfanylacetonitrile
CID 2615933
3-(4-methylphenyl)-5-[(1-phenyltetrazol-5-yl)sulfanylmethyl]-1,2,4-oxadiazole
CID 1225794
3-(2-methylphenyl)-5-[[1-(4-methylphenyl)tetrazol-5-yl]sulfanylmethyl]-1,2,4-oxadiazole
CID 9407687
5-(furan-2-yl)-3-[[1-(4-methylphenyl)tetrazol-5-yl]sulfanylmethyl]-1,2-oxazole
CID 8684722
5-[[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanylmethyl]-3-(4-methylphenyl)-1,2,4-oxadiazole
CID 16539049
1-(4-bromophenyl)-5-[(4-methylphenyl)methylsulfanyl]tetrazole
CID 11291381
5-[(4-bromophenyl)methylsulfanyl]-1-(4-methylphenyl)tetrazole
CID 2615935
2-(5-methylfuran-2-yl)-4-[[1-(4-methylphenyl)tetrazol-5-yl]sulfanylmethyl]-1,3-thiazole
CID 39530014
5-butyl-3-[[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanylmethyl]-1,2,4-oxadiazole
CID 51091376
5-(2-chlorophenyl)-3-[[1-(3-methylphenyl)tetrazol-5-yl]sulfanylmethyl]-1,2,4-oxadiazole
CID 24661602
5-[(2-chloro-6-fluorophenyl)methylsulfanyl]-1-(4-methylphenyl)tetrazole
CID 2615946

Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-3-[[1-(4-methylphenyl)tetrazol-5-yl]sulfanylmethyl]-1,2,4-oxadiazole?
The IUPAC name of 5-cyclopropyl-3-[[1-(4-methylphenyl)tetrazol-5-yl]sulfanylmethyl]-1,2,4-oxadiazole (CID 60563929) is 5-cyclopropyl-3-[[1-(4-methylphenyl)tetrazol-5-yl]sulfanylmethyl]-1,2,4-oxadiazole.
What is the SMILES notation for 5-cyclopropyl-3-[[1-(4-methylphenyl)tetrazol-5-yl]sulfanylmethyl]-1,2,4-oxadiazole?
The canonical SMILES for 5-cyclopropyl-3-[[1-(4-methylphenyl)tetrazol-5-yl]sulfanylmethyl]-1,2,4-oxadiazole is Cc1ccc(-n2nnnc2SCc2noc(C3CC3)n2)cc1.
What is the InChIKey of 5-cyclopropyl-3-[[1-(4-methylphenyl)tetrazol-5-yl]sulfanylmethyl]-1,2,4-oxadiazole?
The InChIKey is AYGFWGMMZKNRMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N6OS/c1-9-2-6-11(7-3-9)20-14(16-18-19-20)22-8-12-15-13(21-17-12)10-4-5-10/h2-3,6-7,10H,4-5,8H2,1H3.
What are the key properties of 5-cyclopropyl-3-[[1-(4-methylphenyl)tetrazol-5-yl]sulfanylmethyl]-1,2,4-oxadiazole?
5-cyclopropyl-3-[[1-(4-methylphenyl)tetrazol-5-yl]sulfanylmethyl]-1,2,4-oxadiazole has a molecular weight of 314.37 g/mol, XLogP of 2.52, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-3-[[1-(4-methylphenyl)tetrazol-5-yl]sulfanylmethyl]-1,2,4-oxadiazole is sourced from PubChem (CID 60563929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).