N-cycloheptyl-3-methyl-2-[[5-(1,2,4-triazol-1-ylmethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]butanamide

C17H26N6O2S — CID 78846580

IUPACN-cycloheptyl-3-methyl-2-[[5-(1,2,4-triazol-1-ylmethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]butanamide
SMILESCC(C)C(Sc1nnc(Cn2cncn2)o1)C(=O)NC1CCCCCC1
InChIInChI=1S/C17H26N6O2S/c1-12(2)15(16(24)20-13-7-5-3-4-6-8-13)26-17-22-21-14(25-17)9-23-11-18-10-19-23/h10-13,15H,3-9H2,1-2H3,(H,20,24)
InChIKeyYKDUNHMOKGMXGY-UHFFFAOYSA-N
MW378.50 g/mol
LogP2.67
Rot. Bonds7

About N-cycloheptyl-3-methyl-2-[[5-(1,2,4-triazol-1-ylmethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]butanamide

N-cycloheptyl-3-methyl-2-[[5-(1,2,4-triazol-1-ylmethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]butanamide (PubChem CID 78846580) has the molecular formula C17H26N6O2S and a molecular weight of 378.50 g/mol. Its IUPAC name is N-cycloheptyl-3-methyl-2-[[5-(1,2,4-triazol-1-ylmethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]butanamide.

Molecular Properties

Compound NameN-cycloheptyl-3-methyl-2-[[5-(1,2,4-triazol-1-ylmethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]butanamide
PubChem CID78846580
Molecular FormulaC17H26N6O2S
Molecular Weight378.50 g/mol
Exact Mass378.18
IUPAC NameN-cycloheptyl-3-methyl-2-[[5-(1,2,4-triazol-1-ylmethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]butanamide
SMILESCC(C)C(Sc1nnc(Cn2cncn2)o1)C(=O)NC1CCCCCC1
InChIInChI=1S/C17H26N6O2S/c1-12(2)15(16(24)20-13-7-5-3-4-6-8-13)26-17-22-21-14(25-17)9-23-11-18-10-19-23/h10-13,15H,3-9H2,1-2H3,(H,20,24)
InChIKeyYKDUNHMOKGMXGY-UHFFFAOYSA-N
XLogP2.67
TPSA98.73 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.50
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-cyclopentyl-3-methyl-2-[[5-(methylsulfanylmethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]butanamide
CID 78846605
N-cyclohexyl-3-methyl-2-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanyl]butanamide
CID 78844460
ethyl 4-[[5-(1,2,4-triazol-1-ylmethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]pentanoate
CID 119038216
1-(2,4-difluorophenyl)-2-[[5-(1,2,4-triazol-1-ylmethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propan-1-one
CID 86912268
N-naphthalen-2-yl-2-[[5-(1,2,4-triazol-1-ylmethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide
CID 78804800
N-(3-bromophenyl)-2-[[5-(1,2,4-triazol-1-ylmethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide
CID 78819893
N-(3-chloro-4-fluorophenyl)-2-[[5-(1,2,4-triazol-1-ylmethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide
CID 78819899
N-(3,5-dimethylphenyl)-2-phenyl-2-[[5-(1,2,4-triazol-1-ylmethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 78804698
N-cyclooctyl-3-(1,2,4-triazol-1-yl)propanamide
CID 31336018
1-(5-methylthiophen-2-yl)-2-[[5-(1,2,4-triazol-1-ylmethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]ethanone
CID 86906472
N-cyclohexyl-2-[(5-ethyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
CID 4288335
N-(3,4-dimethylphenyl)-2-[[5-(1,2,4-triazol-1-ylmethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 78804617

Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-3-methyl-2-[[5-(1,2,4-triazol-1-ylmethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]butanamide?
The IUPAC name of N-cycloheptyl-3-methyl-2-[[5-(1,2,4-triazol-1-ylmethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]butanamide (CID 78846580) is N-cycloheptyl-3-methyl-2-[[5-(1,2,4-triazol-1-ylmethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]butanamide.
What is the SMILES notation for N-cycloheptyl-3-methyl-2-[[5-(1,2,4-triazol-1-ylmethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]butanamide?
The canonical SMILES for N-cycloheptyl-3-methyl-2-[[5-(1,2,4-triazol-1-ylmethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]butanamide is CC(C)C(Sc1nnc(Cn2cncn2)o1)C(=O)NC1CCCCCC1.
What is the InChIKey of N-cycloheptyl-3-methyl-2-[[5-(1,2,4-triazol-1-ylmethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]butanamide?
The InChIKey is YKDUNHMOKGMXGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N6O2S/c1-12(2)15(16(24)20-13-7-5-3-4-6-8-13)26-17-22-21-14(25-17)9-23-11-18-10-19-23/h10-13,15H,3-9H2,1-2H3,(H,20,24).
What are the key properties of N-cycloheptyl-3-methyl-2-[[5-(1,2,4-triazol-1-ylmethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]butanamide?
N-cycloheptyl-3-methyl-2-[[5-(1,2,4-triazol-1-ylmethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]butanamide has a molecular weight of 378.50 g/mol, XLogP of 2.67, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-3-methyl-2-[[5-(1,2,4-triazol-1-ylmethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]butanamide is sourced from PubChem (CID 78846580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).