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

C17H18N6O2S — CID 78842292

IUPACN-[(1-phenylcyclopropyl)methyl]-2-[[5-(1,2,4-triazol-1-ylmethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
SMILESO=C(CSc1nnc(Cn2cncn2)o1)NCC1(c2ccccc2)CC1
InChIInChI=1S/C17H18N6O2S/c24-14(19-10-17(6-7-17)13-4-2-1-3-5-13)9-26-16-22-21-15(25-16)8-23-12-18-11-20-23/h1-5,11-12H,6-10H2,(H,19,24)
InChIKeyOLLFZCFRYXFZJK-UHFFFAOYSA-N
MW370.44 g/mol
LogP1.65
Rot. Bonds8

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

N-[(1-phenylcyclopropyl)methyl]-2-[[5-(1,2,4-triazol-1-ylmethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide (PubChem CID 78842292) has the molecular formula C17H18N6O2S and a molecular weight of 370.44 g/mol. Its IUPAC name is N-[(1-phenylcyclopropyl)methyl]-2-[[5-(1,2,4-triazol-1-ylmethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide.

Molecular Properties

Compound NameN-[(1-phenylcyclopropyl)methyl]-2-[[5-(1,2,4-triazol-1-ylmethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
PubChem CID78842292
Molecular FormulaC17H18N6O2S
Molecular Weight370.44 g/mol
Exact Mass370.12
IUPAC NameN-[(1-phenylcyclopropyl)methyl]-2-[[5-(1,2,4-triazol-1-ylmethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
SMILESO=C(CSc1nnc(Cn2cncn2)o1)NCC1(c2ccccc2)CC1
InChIInChI=1S/C17H18N6O2S/c24-14(19-10-17(6-7-17)13-4-2-1-3-5-13)9-26-16-22-21-15(25-16)8-23-12-18-11-20-23/h1-5,11-12H,6-10H2,(H,19,24)
InChIKeyOLLFZCFRYXFZJK-UHFFFAOYSA-N
XLogP1.65
TPSA98.73 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.44
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-(4-chlorophenyl)-2-[[5-(1,2,4-triazol-1-ylmethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 78804689
N-phenyl-4-[[5-(1,2,4-triazol-1-ylmethyl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]benzamide
CID 86906468
N-(3,4-dimethylphenyl)-2-[[5-(1,2,4-triazol-1-ylmethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 78804617
2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-[(1-phenylcyclobutyl)methyl]acetamide
CID 30422085
1-(5-methylthiophen-2-yl)-2-[[5-(1,2,4-triazol-1-ylmethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]ethanone
CID 86906472
N-[(4-phenyloxan-4-yl)methyl]-2-pyrimidin-2-ylsulfanylacetamide
CID 47057294
2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[(1-phenylcyclopropyl)methyl]acetamide
CID 55525095
1-[4-(3-chlorophenyl)piperazin-1-yl]-2-[[5-(1,2,4-triazol-1-ylmethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]ethanone
CID 78812651
N-[(4-phenyloxan-4-yl)methyl]-2-phenylsulfanylacetamide
CID 75538689
N-(3,5-dimethylphenyl)-2-phenyl-2-[[5-(1,2,4-triazol-1-ylmethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 78804698
2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanyl-N-[(1-phenylcyclopropyl)methyl]acetamide
CID 31372285
N-naphthalen-2-yl-2-[[5-(1,2,4-triazol-1-ylmethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide
CID 78804800

Frequently Asked Questions

What is the IUPAC name of N-[(1-phenylcyclopropyl)methyl]-2-[[5-(1,2,4-triazol-1-ylmethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide?
The IUPAC name of N-[(1-phenylcyclopropyl)methyl]-2-[[5-(1,2,4-triazol-1-ylmethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide (CID 78842292) is N-[(1-phenylcyclopropyl)methyl]-2-[[5-(1,2,4-triazol-1-ylmethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide.
What is the SMILES notation for N-[(1-phenylcyclopropyl)methyl]-2-[[5-(1,2,4-triazol-1-ylmethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide?
The canonical SMILES for N-[(1-phenylcyclopropyl)methyl]-2-[[5-(1,2,4-triazol-1-ylmethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide is O=C(CSc1nnc(Cn2cncn2)o1)NCC1(c2ccccc2)CC1.
What is the InChIKey of N-[(1-phenylcyclopropyl)methyl]-2-[[5-(1,2,4-triazol-1-ylmethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide?
The InChIKey is OLLFZCFRYXFZJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N6O2S/c24-14(19-10-17(6-7-17)13-4-2-1-3-5-13)9-26-16-22-21-15(25-16)8-23-12-18-11-20-23/h1-5,11-12H,6-10H2,(H,19,24).
What are the key properties of N-[(1-phenylcyclopropyl)methyl]-2-[[5-(1,2,4-triazol-1-ylmethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide?
N-[(1-phenylcyclopropyl)methyl]-2-[[5-(1,2,4-triazol-1-ylmethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide has a molecular weight of 370.44 g/mol, XLogP of 1.65, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-phenylcyclopropyl)methyl]-2-[[5-(1,2,4-triazol-1-ylmethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide is sourced from PubChem (CID 78842292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).