3-[(1S)-1-[1-(2-methylpropyl)tetrazol-5-yl]sulfanylethyl]-5-phenyl-1,2,4-oxadiazole

C15H18N6OS — CID 99794601

IUPAC3-[(1S)-1-[1-(2-methylpropyl)tetrazol-5-yl]sulfanylethyl]-5-phenyl-1,2,4-oxadiazole
SMILESCC(C)Cn1nnnc1S[C@@H](C)c1noc(-c2ccccc2)n1
InChIInChI=1S/C15H18N6OS/c1-10(2)9-21-15(17-19-20-21)23-11(3)13-16-14(22-18-13)12-7-5-4-6-8-12/h4-8,10-11H,9H2,1-3H3/t11-/m0/s1
InChIKeyWOLMWNGPNULFAV-NSHDSACASA-N
MW330.42 g/mol
LogP3.23
Rot. Bonds6

About 3-[(1S)-1-[1-(2-methylpropyl)tetrazol-5-yl]sulfanylethyl]-5-phenyl-1,2,4-oxadiazole

3-[(1S)-1-[1-(2-methylpropyl)tetrazol-5-yl]sulfanylethyl]-5-phenyl-1,2,4-oxadiazole (PubChem CID 99794601) has the molecular formula C15H18N6OS and a molecular weight of 330.42 g/mol. Its IUPAC name is 3-[(1S)-1-[1-(2-methylpropyl)tetrazol-5-yl]sulfanylethyl]-5-phenyl-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-[(1S)-1-[1-(2-methylpropyl)tetrazol-5-yl]sulfanylethyl]-5-phenyl-1,2,4-oxadiazole
PubChem CID99794601
Molecular FormulaC15H18N6OS
Molecular Weight330.42 g/mol
Exact Mass330.13
IUPAC Name3-[(1S)-1-[1-(2-methylpropyl)tetrazol-5-yl]sulfanylethyl]-5-phenyl-1,2,4-oxadiazole
SMILESCC(C)Cn1nnnc1S[C@@H](C)c1noc(-c2ccccc2)n1
InChIInChI=1S/C15H18N6OS/c1-10(2)9-21-15(17-19-20-21)23-11(3)13-16-14(22-18-13)12-7-5-4-6-8-12/h4-8,10-11H,9H2,1-3H3/t11-/m0/s1
InChIKeyWOLMWNGPNULFAV-NSHDSACASA-N
XLogP3.23
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 ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 3-[(1S)-1-[1-(2-methylpropyl)tetrazol-5-yl]sulfanylethyl]-5-phenyl-1,2,4-oxadiazole with MolForge

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Related Compounds

[3-methyl-2-[(1R)-1-(5-phenyl-1,2,4-oxadiazol-3-yl)ethyl]sulfanylimidazol-4-yl]methanol
CID 99798765
5-phenyl-3-[(1S)-1-[(4-prop-2-enyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]ethyl]-1,2,4-oxadiazole
CID 99794593
2-[1-(2-methylpropyl)tetrazol-5-yl]sulfanyl-N-(1-phenylethyl)propanamide
CID 51270256
1-(5-phenyl-1,2,4-oxadiazol-3-yl)ethanol
CID 75481811
1-(2-methylpropyl)-5-(1-phenyltetrazol-5-yl)sulfanyltetrazole
CID 17449592
2-[1-(2-methylpropyl)tetrazol-5-yl]sulfanyl-N-(2-phenylethyl)propanamide
CID 51270313
1-(5-phenyl-1,2,4-oxadiazol-3-yl)propan-1-amine
CID 14024498
(5-phenyl-1,2,4-oxadiazol-3-yl)methanediol
CID 12569999
2-(3-bromophenyl)-4-[[1-(2-methylpropyl)tetrazol-5-yl]sulfanylmethyl]-1,3-thiazole
CID 18129212
2-[1-(2-methylpropyl)tetrazol-5-yl]sulfanyl-2-phenyl-1-piperidin-1-ylethanone
CID 46673073
2-[1-(2-methylpropyl)tetrazol-5-yl]sulfanyl-N-naphthalen-1-ylpropanamide
CID 51270251
propyl (2S)-2-[1-(2-methylpropyl)tetrazol-5-yl]sulfanylpropanoate
CID 95636269

Frequently Asked Questions

What is the IUPAC name of 3-[(1S)-1-[1-(2-methylpropyl)tetrazol-5-yl]sulfanylethyl]-5-phenyl-1,2,4-oxadiazole?
The IUPAC name of 3-[(1S)-1-[1-(2-methylpropyl)tetrazol-5-yl]sulfanylethyl]-5-phenyl-1,2,4-oxadiazole (CID 99794601) is 3-[(1S)-1-[1-(2-methylpropyl)tetrazol-5-yl]sulfanylethyl]-5-phenyl-1,2,4-oxadiazole.
What is the SMILES notation for 3-[(1S)-1-[1-(2-methylpropyl)tetrazol-5-yl]sulfanylethyl]-5-phenyl-1,2,4-oxadiazole?
The canonical SMILES for 3-[(1S)-1-[1-(2-methylpropyl)tetrazol-5-yl]sulfanylethyl]-5-phenyl-1,2,4-oxadiazole is CC(C)Cn1nnnc1S[C@@H](C)c1noc(-c2ccccc2)n1.
What is the InChIKey of 3-[(1S)-1-[1-(2-methylpropyl)tetrazol-5-yl]sulfanylethyl]-5-phenyl-1,2,4-oxadiazole?
The InChIKey is WOLMWNGPNULFAV-NSHDSACASA-N. The full InChI is InChI=1S/C15H18N6OS/c1-10(2)9-21-15(17-19-20-21)23-11(3)13-16-14(22-18-13)12-7-5-4-6-8-12/h4-8,10-11H,9H2,1-3H3/t11-/m0/s1.
What are the key properties of 3-[(1S)-1-[1-(2-methylpropyl)tetrazol-5-yl]sulfanylethyl]-5-phenyl-1,2,4-oxadiazole?
3-[(1S)-1-[1-(2-methylpropyl)tetrazol-5-yl]sulfanylethyl]-5-phenyl-1,2,4-oxadiazole has a molecular weight of 330.42 g/mol, XLogP of 3.23, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1S)-1-[1-(2-methylpropyl)tetrazol-5-yl]sulfanylethyl]-5-phenyl-1,2,4-oxadiazole is sourced from PubChem (CID 99794601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).