2-[(1R)-1-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]-5-(4-methoxyphenyl)-1,3,4-oxadiazole

C17H19N5O2S — CID 8631512

IUPAC2-[(1R)-1-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]-5-(4-methoxyphenyl)-1,3,4-oxadiazole
SMILESCOc1ccc(-c2nnc([C@@H](C)Sc3nnc(C)n3C3CC3)o2)cc1
InChIInChI=1S/C17H19N5O2S/c1-10(25-17-21-18-11(2)22(17)13-6-7-13)15-19-20-16(24-15)12-4-8-14(23-3)9-5-12/h4-5,8-10,13H,6-7H2,1-3H3/t10-/m1/s1
InChIKeyNVPBCDMTONBZJX-SNVBAGLBSA-N
MW357.44 g/mol
LogP3.83
Rot. Bonds6

About 2-[(1R)-1-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]-5-(4-methoxyphenyl)-1,3,4-oxadiazole

2-[(1R)-1-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]-5-(4-methoxyphenyl)-1,3,4-oxadiazole (PubChem CID 8631512) has the molecular formula C17H19N5O2S and a molecular weight of 357.44 g/mol. Its IUPAC name is 2-[(1R)-1-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]-5-(4-methoxyphenyl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[(1R)-1-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]-5-(4-methoxyphenyl)-1,3,4-oxadiazole
PubChem CID8631512
Molecular FormulaC17H19N5O2S
Molecular Weight357.44 g/mol
Exact Mass357.13
IUPAC Name2-[(1R)-1-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]-5-(4-methoxyphenyl)-1,3,4-oxadiazole
SMILESCOc1ccc(-c2nnc([C@@H](C)Sc3nnc(C)n3C3CC3)o2)cc1
InChIInChI=1S/C17H19N5O2S/c1-10(25-17-21-18-11(2)22(17)13-6-7-13)15-19-20-16(24-15)12-4-8-14(23-3)9-5-12/h4-5,8-10,13H,6-7H2,1-3H3/t10-/m1/s1
InChIKeyNVPBCDMTONBZJX-SNVBAGLBSA-N
XLogP3.83
TPSA78.86 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.44
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

2-[1-(1-cyclopropyl-5-phenylimidazol-2-yl)sulfanylethyl]-5-(4-methoxyphenyl)-1,3,4-oxadiazole
CID 24623096
2-(4-methoxyphenyl)-5-[(1S)-1-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-ylsulfanyl)ethyl]-1,3,4-oxadiazole
CID 41319912
2-(4-methoxyphenyl)-5-[(1R)-1-(1-methyltetrazol-5-yl)sulfanylethyl]-1,3,4-oxadiazole
CID 9231117
2-[(1R)-1-[(4-cyclopropyl-5-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]ethyl]-5-phenyl-1,3,4-oxadiazole
CID 30036829
2-(4-methoxyphenyl)-5-[1-(1-methylimidazol-2-yl)sulfanylethyl]-1,3,4-oxadiazole
CID 18201150
2-(4-methoxyphenyl)-5-[(1R)-1-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]ethyl]-1,3,4-oxadiazole
CID 8582003
2-(4-methoxyphenyl)-5-[(1R)-1-phenylsulfanylethyl]-1,3,4-oxadiazole
CID 9007491
2-[1-(4-fluorophenyl)sulfanylethyl]-5-(4-methoxyphenyl)-1,3,4-oxadiazole
CID 18201977
2-[(1S)-1-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]-5-(3-methylphenyl)-1,3,4-oxadiazole
CID 9171034
2-[(1S)-1-[[5-(4-methoxyphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]ethyl]-5-phenyl-1,3,4-oxadiazole
CID 7629997
2-(4-methoxyphenyl)-5-[(1R)-1-[[5-[(4-methylphenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]ethyl]-1,3,4-oxadiazole
CID 38843324
2-[(1R)-1-[[4-cyclopropyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]ethyl]-5-phenyl-1,3,4-oxadiazole
CID 7662644

Frequently Asked Questions

What is the IUPAC name of 2-[(1R)-1-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]-5-(4-methoxyphenyl)-1,3,4-oxadiazole?
The IUPAC name of 2-[(1R)-1-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]-5-(4-methoxyphenyl)-1,3,4-oxadiazole (CID 8631512) is 2-[(1R)-1-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]-5-(4-methoxyphenyl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-[(1R)-1-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]-5-(4-methoxyphenyl)-1,3,4-oxadiazole?
The canonical SMILES for 2-[(1R)-1-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]-5-(4-methoxyphenyl)-1,3,4-oxadiazole is COc1ccc(-c2nnc([C@@H](C)Sc3nnc(C)n3C3CC3)o2)cc1.
What is the InChIKey of 2-[(1R)-1-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]-5-(4-methoxyphenyl)-1,3,4-oxadiazole?
The InChIKey is NVPBCDMTONBZJX-SNVBAGLBSA-N. The full InChI is InChI=1S/C17H19N5O2S/c1-10(25-17-21-18-11(2)22(17)13-6-7-13)15-19-20-16(24-15)12-4-8-14(23-3)9-5-12/h4-5,8-10,13H,6-7H2,1-3H3/t10-/m1/s1.
What are the key properties of 2-[(1R)-1-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]-5-(4-methoxyphenyl)-1,3,4-oxadiazole?
2-[(1R)-1-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]-5-(4-methoxyphenyl)-1,3,4-oxadiazole has a molecular weight of 357.44 g/mol, XLogP of 3.83, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R)-1-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]-5-(4-methoxyphenyl)-1,3,4-oxadiazole is sourced from PubChem (CID 8631512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).