5-[(2-methylphenyl)methyl]-3-[(1-propan-2-yltetrazol-5-yl)sulfanylmethyl]-1,2,4-oxadiazole

C15H18N6OS — CID 71860262

IUPAC5-[(2-methylphenyl)methyl]-3-[(1-propan-2-yltetrazol-5-yl)sulfanylmethyl]-1,2,4-oxadiazole
SMILESCc1ccccc1Cc1nc(CSc2nnnn2C(C)C)no1
InChIInChI=1S/C15H18N6OS/c1-10(2)21-15(17-19-20-21)23-9-13-16-14(22-18-13)8-12-7-5-4-6-11(12)3/h4-7,10H,8-9H2,1-3H3
InChIKeyGZGOCJPYNSISIQ-UHFFFAOYSA-N
MW330.42 g/mol
LogP2.83
Rot. Bonds6

About 5-[(2-methylphenyl)methyl]-3-[(1-propan-2-yltetrazol-5-yl)sulfanylmethyl]-1,2,4-oxadiazole

5-[(2-methylphenyl)methyl]-3-[(1-propan-2-yltetrazol-5-yl)sulfanylmethyl]-1,2,4-oxadiazole (PubChem CID 71860262) has the molecular formula C15H18N6OS and a molecular weight of 330.42 g/mol. Its IUPAC name is 5-[(2-methylphenyl)methyl]-3-[(1-propan-2-yltetrazol-5-yl)sulfanylmethyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[(2-methylphenyl)methyl]-3-[(1-propan-2-yltetrazol-5-yl)sulfanylmethyl]-1,2,4-oxadiazole
PubChem CID71860262
Molecular FormulaC15H18N6OS
Molecular Weight330.42 g/mol
Exact Mass330.13
IUPAC Name5-[(2-methylphenyl)methyl]-3-[(1-propan-2-yltetrazol-5-yl)sulfanylmethyl]-1,2,4-oxadiazole
SMILESCc1ccccc1Cc1nc(CSc2nnnn2C(C)C)no1
InChIInChI=1S/C15H18N6OS/c1-10(2)21-15(17-19-20-21)23-9-13-16-14(22-18-13)8-12-7-5-4-6-11(12)3/h4-7,10H,8-9H2,1-3H3
InChIKeyGZGOCJPYNSISIQ-UHFFFAOYSA-N
XLogP2.83
TPSA82.52 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.42
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 5-[(2-methylphenyl)methyl]-3-[(1-propan-2-yltetrazol-5-yl)sulfanylmethyl]-1,2,4-oxadiazole with MolForge

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Related Compounds

4-Methyl-5-[[5-[(2-methylphenyl)methyl]-1,2,4-oxadiazol-3-yl]methylsulfanyl]-1,2,4-triazol-3-amine
CID 71858901
4-Cyclopropyl-5-[[5-[(2-methylphenyl)methyl]-1,2,4-oxadiazol-3-yl]methylsulfanyl]-1,2,4-triazol-3-amine
CID 71975170
5-(4-Fluorophenyl)-3-[(1-propan-2-yltetrazol-5-yl)sulfanylmethyl]-1,2,4-oxadiazole
CID 38851502
3-[(4-Fluorophenyl)methyl]-5-[1-(1-prop-2-enyltetrazol-5-yl)sulfanylethyl]-1,2,4-oxadiazole
CID 71855934
3-[(4-fluorophenyl)methyl]-5-[(1S)-1-(1-prop-2-enyltetrazol-5-yl)sulfanylethyl]-1,2,4-oxadiazole
CID 97021554
3-[(4-fluorophenyl)methyl]-5-[(1R)-1-(1-prop-2-enyltetrazol-5-yl)sulfanylethyl]-1,2,4-oxadiazole
CID 97021555
3-Benzyl-5-[(1-methyltetrazol-5-yl)sulfanylmethyl]-1,2,4-oxadiazole
CID 38868600
3-Benzyl-5-[(1-tert-butyltetrazol-5-yl)sulfanylmethyl]-1,2,4-oxadiazole
CID 38875434
5-[(1-Cyclopentyltetrazol-5-yl)sulfanylmethyl]-3-(2-methylphenyl)-1,2,4-oxadiazole
CID 9517027
5-[(1-Ethyltetrazol-5-yl)sulfanylmethyl]-3-(2-methylphenyl)-1,2,4-oxadiazole
CID 24523336
3-[(1-Benzyltetrazol-5-yl)sulfanylmethyl]-5-tert-butyl-1,2,4-oxadiazole
CID 35363618
3-Benzyl-5-[(1-cyclohexyltetrazol-5-yl)sulfanylmethyl]-1,2,4-oxadiazole
CID 38875522

Frequently Asked Questions

What is the IUPAC name of 5-[(2-methylphenyl)methyl]-3-[(1-propan-2-yltetrazol-5-yl)sulfanylmethyl]-1,2,4-oxadiazole?
The IUPAC name of 5-[(2-methylphenyl)methyl]-3-[(1-propan-2-yltetrazol-5-yl)sulfanylmethyl]-1,2,4-oxadiazole (CID 71860262) is 5-[(2-methylphenyl)methyl]-3-[(1-propan-2-yltetrazol-5-yl)sulfanylmethyl]-1,2,4-oxadiazole.
What is the SMILES notation for 5-[(2-methylphenyl)methyl]-3-[(1-propan-2-yltetrazol-5-yl)sulfanylmethyl]-1,2,4-oxadiazole?
The canonical SMILES for 5-[(2-methylphenyl)methyl]-3-[(1-propan-2-yltetrazol-5-yl)sulfanylmethyl]-1,2,4-oxadiazole is Cc1ccccc1Cc1nc(CSc2nnnn2C(C)C)no1.
What is the InChIKey of 5-[(2-methylphenyl)methyl]-3-[(1-propan-2-yltetrazol-5-yl)sulfanylmethyl]-1,2,4-oxadiazole?
The InChIKey is GZGOCJPYNSISIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N6OS/c1-10(2)21-15(17-19-20-21)23-9-13-16-14(22-18-13)8-12-7-5-4-6-11(12)3/h4-7,10H,8-9H2,1-3H3.
What are the key properties of 5-[(2-methylphenyl)methyl]-3-[(1-propan-2-yltetrazol-5-yl)sulfanylmethyl]-1,2,4-oxadiazole?
5-[(2-methylphenyl)methyl]-3-[(1-propan-2-yltetrazol-5-yl)sulfanylmethyl]-1,2,4-oxadiazole has a molecular weight of 330.42 g/mol, XLogP of 2.83, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-methylphenyl)methyl]-3-[(1-propan-2-yltetrazol-5-yl)sulfanylmethyl]-1,2,4-oxadiazole is sourced from PubChem (CID 71860262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).