N-(5-phenyl-1,3,4-oxadiazol-2-yl)-4-propan-2-ylsulfanylbenzamide

C18H17N3O2S — CID 41147646

IUPACN-(5-phenyl-1,3,4-oxadiazol-2-yl)-4-propan-2-ylsulfanylbenzamide
SMILESCC(C)Sc1ccc(C(=O)Nc2nnc(-c3ccccc3)o2)cc1
InChIInChI=1S/C18H17N3O2S/c1-12(2)24-15-10-8-13(9-11-15)16(22)19-18-21-20-17(23-18)14-6-4-3-5-7-14/h3-12H,1-2H3,(H,19,21,22)
InChIKeyLJPNYSDLMCVEQD-UHFFFAOYSA-N
MW339.42 g/mol
LogP4.49
Rot. Bonds5

About N-(5-phenyl-1,3,4-oxadiazol-2-yl)-4-propan-2-ylsulfanylbenzamide

N-(5-phenyl-1,3,4-oxadiazol-2-yl)-4-propan-2-ylsulfanylbenzamide (PubChem CID 41147646) has the molecular formula C18H17N3O2S and a molecular weight of 339.42 g/mol. Its IUPAC name is N-(5-phenyl-1,3,4-oxadiazol-2-yl)-4-propan-2-ylsulfanylbenzamide.

Molecular Properties

Compound NameN-(5-phenyl-1,3,4-oxadiazol-2-yl)-4-propan-2-ylsulfanylbenzamide
PubChem CID41147646
Molecular FormulaC18H17N3O2S
Molecular Weight339.42 g/mol
Exact Mass339.10
IUPAC NameN-(5-phenyl-1,3,4-oxadiazol-2-yl)-4-propan-2-ylsulfanylbenzamide
SMILESCC(C)Sc1ccc(C(=O)Nc2nnc(-c3ccccc3)o2)cc1
InChIInChI=1S/C18H17N3O2S/c1-12(2)24-15-10-8-13(9-11-15)16(22)19-18-21-20-17(23-18)14-6-4-3-5-7-14/h3-12H,1-2H3,(H,19,21,22)
InChIKeyLJPNYSDLMCVEQD-UHFFFAOYSA-N
XLogP4.49
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.42
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-propan-2-ylsulfanyl-N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)benzamide
CID 18587122
3,5-dimethoxy-N-[5-(3-propan-2-ylsulfanylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 41228441
N-[5-(2,4-dichlorophenyl)-1,3,4-oxadiazol-2-yl]-4-propan-2-ylsulfanylbenzamide
CID 43977085
N-[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]-3-propan-2-ylsulfanylbenzamide
CID 41146905
N-[5-(4-propan-2-ylsulfanylphenyl)-1,3,4-oxadiazol-2-yl]cyclopropanecarboxamide
CID 41228079
4-[(4-bromobenzoyl)amino]-N-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide
CID 45016585
N-[5-(3-propan-2-ylsulfanylphenyl)-1,3,4-oxadiazol-2-yl]-4-pyrrolidin-1-ylsulfonylbenzamide
CID 41228458
4-methyl-N-[(2S)-3-methyl-1-oxo-1-[(5-phenyl-1,3,4-oxadiazol-2-yl)amino]butan-2-yl]benzamide
CID 40987578
N-[5-(3-propan-2-ylsulfanylphenyl)-1,3,4-oxadiazol-2-yl]-1,3-benzothiazole-6-carboxamide
CID 41228667
N-[5-(3,5-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]-3-propan-2-ylsulfanylbenzamide
CID 41147051
2-methylsulfanyl-N-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide
CID 7565083
6-fluoro-N-(5-phenyl-1,3,4-oxadiazol-2-yl)pyridine-3-carboxamide
CID 63980510

Frequently Asked Questions

What is the IUPAC name of N-(5-phenyl-1,3,4-oxadiazol-2-yl)-4-propan-2-ylsulfanylbenzamide?
The IUPAC name of N-(5-phenyl-1,3,4-oxadiazol-2-yl)-4-propan-2-ylsulfanylbenzamide (CID 41147646) is N-(5-phenyl-1,3,4-oxadiazol-2-yl)-4-propan-2-ylsulfanylbenzamide.
What is the SMILES notation for N-(5-phenyl-1,3,4-oxadiazol-2-yl)-4-propan-2-ylsulfanylbenzamide?
The canonical SMILES for N-(5-phenyl-1,3,4-oxadiazol-2-yl)-4-propan-2-ylsulfanylbenzamide is CC(C)Sc1ccc(C(=O)Nc2nnc(-c3ccccc3)o2)cc1.
What is the InChIKey of N-(5-phenyl-1,3,4-oxadiazol-2-yl)-4-propan-2-ylsulfanylbenzamide?
The InChIKey is LJPNYSDLMCVEQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O2S/c1-12(2)24-15-10-8-13(9-11-15)16(22)19-18-21-20-17(23-18)14-6-4-3-5-7-14/h3-12H,1-2H3,(H,19,21,22).
What are the key properties of N-(5-phenyl-1,3,4-oxadiazol-2-yl)-4-propan-2-ylsulfanylbenzamide?
N-(5-phenyl-1,3,4-oxadiazol-2-yl)-4-propan-2-ylsulfanylbenzamide has a molecular weight of 339.42 g/mol, XLogP of 4.49, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-phenyl-1,3,4-oxadiazol-2-yl)-4-propan-2-ylsulfanylbenzamide is sourced from PubChem (CID 41147646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).