N-[5-(4-propan-2-ylsulfanylphenyl)-1,3,4-oxadiazol-2-yl]cyclopropanecarboxamide

C15H17N3O2S — CID 41228079

IUPACN-[5-(4-propan-2-ylsulfanylphenyl)-1,3,4-oxadiazol-2-yl]cyclopropanecarboxamide
SMILESCC(C)Sc1ccc(-c2nnc(NC(=O)C3CC3)o2)cc1
InChIInChI=1S/C15H17N3O2S/c1-9(2)21-12-7-5-11(6-8-12)14-17-18-15(20-14)16-13(19)10-3-4-10/h5-10H,3-4H2,1-2H3,(H,16,18,19)
InChIKeyHMMYWGGKJUKHSF-UHFFFAOYSA-N
MW303.39 g/mol
LogP3.59
Rot. Bonds5

About N-[5-(4-propan-2-ylsulfanylphenyl)-1,3,4-oxadiazol-2-yl]cyclopropanecarboxamide

N-[5-(4-propan-2-ylsulfanylphenyl)-1,3,4-oxadiazol-2-yl]cyclopropanecarboxamide (PubChem CID 41228079) has the molecular formula C15H17N3O2S and a molecular weight of 303.39 g/mol. Its IUPAC name is N-[5-(4-propan-2-ylsulfanylphenyl)-1,3,4-oxadiazol-2-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[5-(4-propan-2-ylsulfanylphenyl)-1,3,4-oxadiazol-2-yl]cyclopropanecarboxamide
PubChem CID41228079
Molecular FormulaC15H17N3O2S
Molecular Weight303.39 g/mol
Exact Mass303.10
IUPAC NameN-[5-(4-propan-2-ylsulfanylphenyl)-1,3,4-oxadiazol-2-yl]cyclopropanecarboxamide
SMILESCC(C)Sc1ccc(-c2nnc(NC(=O)C3CC3)o2)cc1
InChIInChI=1S/C15H17N3O2S/c1-9(2)21-12-7-5-11(6-8-12)14-17-18-15(20-14)16-13(19)10-3-4-10/h5-10H,3-4H2,1-2H3,(H,16,18,19)
InChIKeyHMMYWGGKJUKHSF-UHFFFAOYSA-N
XLogP3.59
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.39
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[5-(4-propan-2-ylsulfanylphenyl)-1,3,4-oxadiazol-2-yl]cyclopropanecarboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]cyclopropanecarboxamide
CID 3251832
N-(5-phenyl-1,3,4-oxadiazol-2-yl)-4-propan-2-ylsulfanylbenzamide
CID 41147646
N-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]cyclopropanecarboxamide
CID 16854750
N-(4-propan-2-ylsulfanylphenyl)cyclopropanecarboxamide
CID 110778678
N-[5-(3-propan-2-ylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]cyclopropanecarboxamide
CID 41227508
1-N,1-N-dimethyl-4-N-[5-(4-propan-2-ylphenyl)-1,3,4-oxadiazol-2-yl]piperidine-1,4-dicarboxamide
CID 156584981
N-[5-(3,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]cyclohexanecarboxamide
CID 18584049
1-(4-fluorophenyl)sulfonyl-N-[5-(4-methylsulfanylphenyl)-1,3,4-oxadiazol-2-yl]piperidine-4-carboxamide
CID 43977771
2-methyl-N-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanamide
CID 16854563
1,1-dioxo-N-[5-(4-propan-2-ylphenyl)-1,3,4-oxadiazol-2-yl]thiolane-3-carboxamide;formic acid
CID 163341406
N-[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]-3-propan-2-ylsulfanylbenzamide
CID 41146905
1-ethylsulfonyl-N-(5-phenyl-1,3,4-oxadiazol-2-yl)piperidine-4-carboxamide
CID 8891344

Frequently Asked Questions

What is the IUPAC name of N-[5-(4-propan-2-ylsulfanylphenyl)-1,3,4-oxadiazol-2-yl]cyclopropanecarboxamide?
The IUPAC name of N-[5-(4-propan-2-ylsulfanylphenyl)-1,3,4-oxadiazol-2-yl]cyclopropanecarboxamide (CID 41228079) is N-[5-(4-propan-2-ylsulfanylphenyl)-1,3,4-oxadiazol-2-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[5-(4-propan-2-ylsulfanylphenyl)-1,3,4-oxadiazol-2-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[5-(4-propan-2-ylsulfanylphenyl)-1,3,4-oxadiazol-2-yl]cyclopropanecarboxamide is CC(C)Sc1ccc(-c2nnc(NC(=O)C3CC3)o2)cc1.
What is the InChIKey of N-[5-(4-propan-2-ylsulfanylphenyl)-1,3,4-oxadiazol-2-yl]cyclopropanecarboxamide?
The InChIKey is HMMYWGGKJUKHSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O2S/c1-9(2)21-12-7-5-11(6-8-12)14-17-18-15(20-14)16-13(19)10-3-4-10/h5-10H,3-4H2,1-2H3,(H,16,18,19).
What are the key properties of N-[5-(4-propan-2-ylsulfanylphenyl)-1,3,4-oxadiazol-2-yl]cyclopropanecarboxamide?
N-[5-(4-propan-2-ylsulfanylphenyl)-1,3,4-oxadiazol-2-yl]cyclopropanecarboxamide has a molecular weight of 303.39 g/mol, XLogP of 3.59, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(4-propan-2-ylsulfanylphenyl)-1,3,4-oxadiazol-2-yl]cyclopropanecarboxamide is sourced from PubChem (CID 41228079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).