N-(5-ethyl-2-methoxyphenyl)sulfanyl-5-phenyl-1,3,4-oxadiazol-2-amine

C17H17N3O2S — CID 153381122

IUPACN-(5-ethyl-2-methoxyphenyl)sulfanyl-5-phenyl-1,3,4-oxadiazol-2-amine
SMILESCCc1ccc(OC)c(SNc2nnc(-c3ccccc3)o2)c1
InChIInChI=1S/C17H17N3O2S/c1-3-12-9-10-14(21-2)15(11-12)23-20-17-19-18-16(22-17)13-7-5-4-6-8-13/h4-11H,3H2,1-2H3,(H,19,20)
InChIKeyPFNKIABUIRFGSR-UHFFFAOYSA-N
MW327.41 g/mol
LogP4.43
Rot. Bonds6

About N-(5-ethyl-2-methoxyphenyl)sulfanyl-5-phenyl-1,3,4-oxadiazol-2-amine

N-(5-ethyl-2-methoxyphenyl)sulfanyl-5-phenyl-1,3,4-oxadiazol-2-amine (PubChem CID 153381122) has the molecular formula C17H17N3O2S and a molecular weight of 327.41 g/mol. Its IUPAC name is N-(5-ethyl-2-methoxyphenyl)sulfanyl-5-phenyl-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound NameN-(5-ethyl-2-methoxyphenyl)sulfanyl-5-phenyl-1,3,4-oxadiazol-2-amine
PubChem CID153381122
Molecular FormulaC17H17N3O2S
Molecular Weight327.41 g/mol
Exact Mass327.10
IUPAC NameN-(5-ethyl-2-methoxyphenyl)sulfanyl-5-phenyl-1,3,4-oxadiazol-2-amine
SMILESCCc1ccc(OC)c(SNc2nnc(-c3ccccc3)o2)c1
InChIInChI=1S/C17H17N3O2S/c1-3-12-9-10-14(21-2)15(11-12)23-20-17-19-18-16(22-17)13-7-5-4-6-8-13/h4-11H,3H2,1-2H3,(H,19,20)
InChIKeyPFNKIABUIRFGSR-UHFFFAOYSA-N
XLogP4.43
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.41
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-(4-methoxy-3-methylphenyl)-N-methyl-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]methanamine
CID 60589437
2,6-dimethoxy-N-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide
CID 3518645
1-(2,5-diethylphenyl)-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanone
CID 7459222
2-(3,4-dimethoxyphenyl)-5-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]-1,3,4-oxadiazole
CID 110656547
3,4-dimethoxy-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]aniline
CID 18870590
2-[[4-[(3,4-dimethoxyphenyl)methyl]piperazine-1,4-diium-1-yl]methyl]-5-phenyl-1,3,4-oxadiazole
CID 8721170
[5-[4-methoxy-3-[(4-methylphenyl)methoxy]phenyl]-1,3,4-oxadiazol-2-yl]hydrazine
CID 91681625
2-[1-(2-methoxyphenyl)sulfanylethyl]-5-phenyl-1,3,4-oxadiazole
CID 60593890
[(1R)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl] 4-ethoxy-3-methoxybenzoate
CID 7630583
N-benzyl-5-phenyl-1,3,4-oxadiazol-2-amine
CID 11299717
[(1S)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl] 2,4,5-trimethoxybenzoate
CID 7604513
2-[(4,5-dimethoxy-2-methylphenyl)methylsulfanyl]-5-phenyl-1,3,4-oxadiazole
CID 7861348

Frequently Asked Questions

What is the IUPAC name of N-(5-ethyl-2-methoxyphenyl)sulfanyl-5-phenyl-1,3,4-oxadiazol-2-amine?
The IUPAC name of N-(5-ethyl-2-methoxyphenyl)sulfanyl-5-phenyl-1,3,4-oxadiazol-2-amine (CID 153381122) is N-(5-ethyl-2-methoxyphenyl)sulfanyl-5-phenyl-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for N-(5-ethyl-2-methoxyphenyl)sulfanyl-5-phenyl-1,3,4-oxadiazol-2-amine?
The canonical SMILES for N-(5-ethyl-2-methoxyphenyl)sulfanyl-5-phenyl-1,3,4-oxadiazol-2-amine is CCc1ccc(OC)c(SNc2nnc(-c3ccccc3)o2)c1.
What is the InChIKey of N-(5-ethyl-2-methoxyphenyl)sulfanyl-5-phenyl-1,3,4-oxadiazol-2-amine?
The InChIKey is PFNKIABUIRFGSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O2S/c1-3-12-9-10-14(21-2)15(11-12)23-20-17-19-18-16(22-17)13-7-5-4-6-8-13/h4-11H,3H2,1-2H3,(H,19,20).
What are the key properties of N-(5-ethyl-2-methoxyphenyl)sulfanyl-5-phenyl-1,3,4-oxadiazol-2-amine?
N-(5-ethyl-2-methoxyphenyl)sulfanyl-5-phenyl-1,3,4-oxadiazol-2-amine has a molecular weight of 327.41 g/mol, XLogP of 4.43, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-ethyl-2-methoxyphenyl)sulfanyl-5-phenyl-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 153381122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).