5-[(1R)-1-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]ethyl]-3-propyl-1,2,4-oxadiazole

C15H18N4OS — CID 35163043

IUPAC5-[(1R)-1-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]ethyl]-3-propyl-1,2,4-oxadiazole
SMILESCCCc1noc([C@@H](C)Sc2nc3ccc(C)cc3[nH]2)n1
InChIInChI=1S/C15H18N4OS/c1-4-5-13-18-14(20-19-13)10(3)21-15-16-11-7-6-9(2)8-12(11)17-15/h6-8,10H,4-5H2,1-3H3,(H,16,17)/t10-/m1/s1
InChIKeyDBCKYZPCBZXTKL-SNVBAGLBSA-N
MW302.40 g/mol
LogP4.06
Rot. Bonds5

About 5-[(1R)-1-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]ethyl]-3-propyl-1,2,4-oxadiazole

5-[(1R)-1-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]ethyl]-3-propyl-1,2,4-oxadiazole (PubChem CID 35163043) has the molecular formula C15H18N4OS and a molecular weight of 302.40 g/mol. Its IUPAC name is 5-[(1R)-1-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]ethyl]-3-propyl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[(1R)-1-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]ethyl]-3-propyl-1,2,4-oxadiazole
PubChem CID35163043
Molecular FormulaC15H18N4OS
Molecular Weight302.40 g/mol
Exact Mass302.12
IUPAC Name5-[(1R)-1-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]ethyl]-3-propyl-1,2,4-oxadiazole
SMILESCCCc1noc([C@@H](C)Sc2nc3ccc(C)cc3[nH]2)n1
InChIInChI=1S/C15H18N4OS/c1-4-5-13-18-14(20-19-13)10(3)21-15-16-11-7-6-9(2)8-12(11)17-15/h6-8,10H,4-5H2,1-3H3,(H,16,17)/t10-/m1/s1
InChIKeyDBCKYZPCBZXTKL-SNVBAGLBSA-N
XLogP4.06
TPSA67.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.40
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[(1R)-1-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]ethyl]-3-propyl-1,2,4-oxadiazole?
The IUPAC name of 5-[(1R)-1-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]ethyl]-3-propyl-1,2,4-oxadiazole (CID 35163043) is 5-[(1R)-1-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]ethyl]-3-propyl-1,2,4-oxadiazole.
What is the SMILES notation for 5-[(1R)-1-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]ethyl]-3-propyl-1,2,4-oxadiazole?
The canonical SMILES for 5-[(1R)-1-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]ethyl]-3-propyl-1,2,4-oxadiazole is CCCc1noc([C@@H](C)Sc2nc3ccc(C)cc3[nH]2)n1.
What is the InChIKey of 5-[(1R)-1-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]ethyl]-3-propyl-1,2,4-oxadiazole?
The InChIKey is DBCKYZPCBZXTKL-SNVBAGLBSA-N. The full InChI is InChI=1S/C15H18N4OS/c1-4-5-13-18-14(20-19-13)10(3)21-15-16-11-7-6-9(2)8-12(11)17-15/h6-8,10H,4-5H2,1-3H3,(H,16,17)/t10-/m1/s1.
What are the key properties of 5-[(1R)-1-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]ethyl]-3-propyl-1,2,4-oxadiazole?
5-[(1R)-1-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]ethyl]-3-propyl-1,2,4-oxadiazole has a molecular weight of 302.40 g/mol, XLogP of 4.06, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1R)-1-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]ethyl]-3-propyl-1,2,4-oxadiazole is sourced from PubChem (CID 35163043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).