5-(4-methoxyphenyl)-N-propan-2-yl-1,3,4-oxadiazole-2-carboxamide

C13H15N3O3 — CID 110392031

IUPAC5-(4-methoxyphenyl)-N-propan-2-yl-1,3,4-oxadiazole-2-carboxamide
SMILESCOc1ccc(-c2nnc(C(=O)NC(C)C)o2)cc1
InChIInChI=1S/C13H15N3O3/c1-8(2)14-11(17)13-16-15-12(19-13)9-4-6-10(18-3)7-5-9/h4-8H,1-3H3,(H,14,17)
InChIKeyZHAMTLHUOJCOAV-UHFFFAOYSA-N
MW261.28 g/mol
LogP1.88
Rot. Bonds4

About 5-(4-methoxyphenyl)-N-propan-2-yl-1,3,4-oxadiazole-2-carboxamide

5-(4-methoxyphenyl)-N-propan-2-yl-1,3,4-oxadiazole-2-carboxamide (PubChem CID 110392031) has the molecular formula C13H15N3O3 and a molecular weight of 261.28 g/mol. Its IUPAC name is 5-(4-methoxyphenyl)-N-propan-2-yl-1,3,4-oxadiazole-2-carboxamide.

Molecular Properties

Compound Name5-(4-methoxyphenyl)-N-propan-2-yl-1,3,4-oxadiazole-2-carboxamide
PubChem CID110392031
Molecular FormulaC13H15N3O3
Molecular Weight261.28 g/mol
Exact Mass261.11
IUPAC Name5-(4-methoxyphenyl)-N-propan-2-yl-1,3,4-oxadiazole-2-carboxamide
SMILESCOc1ccc(-c2nnc(C(=O)NC(C)C)o2)cc1
InChIInChI=1S/C13H15N3O3/c1-8(2)14-11(17)13-16-15-12(19-13)9-4-6-10(18-3)7-5-9/h4-8H,1-3H3,(H,14,17)
InChIKeyZHAMTLHUOJCOAV-UHFFFAOYSA-N
XLogP1.88
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.28
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-(4-methoxyphenyl)-N-propan-2-yl-1,3,4-oxadiazole-2-carboxamide 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-(4-acetamidophenyl)-5-(4-methoxyphenyl)-1,3,4-oxadiazole-2-carboxamide
CID 110392173
N-cyclopropyl-5-(4-methoxyphenyl)-1,3,4-oxadiazole-2-carboxamide
CID 110392032
N-(2,3-dimethylphenyl)-5-(4-methoxyphenyl)-1,3,4-oxadiazole-2-carboxamide
CID 110392130
5-(4-fluorophenyl)-N-[(4-methoxyphenyl)methyl]-1,3,4-oxadiazole-2-carboxamide
CID 110392627
[4-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]phenyl] acetate
CID 144750250
N-(2-cyanophenyl)-5-(4-methoxyphenyl)-1,3,4-oxadiazole-2-carboxamide
CID 110392213
N-(4-chloro-2,5-dimethoxyphenyl)-5-(4-methoxyphenyl)-1,3,4-oxadiazole-2-carboxamide
CID 110392209
N-(3-chloro-4-methylphenyl)-5-(4-methoxyphenyl)-1,3,4-oxadiazole-2-carboxamide
CID 110392149
[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]urea
CID 71521216
N-[2-(4-methoxyphenoxy)ethyl]-5-phenyl-1,3,4-oxadiazole-2-carboxamide
CID 110390918
2-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanoic acid
CID 6472531
2-[3,5-bis[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-5-(4-methoxyphenyl)-1,3,4-oxadiazole
CID 638609

Frequently Asked Questions

What is the IUPAC name of 5-(4-methoxyphenyl)-N-propan-2-yl-1,3,4-oxadiazole-2-carboxamide?
The IUPAC name of 5-(4-methoxyphenyl)-N-propan-2-yl-1,3,4-oxadiazole-2-carboxamide (CID 110392031) is 5-(4-methoxyphenyl)-N-propan-2-yl-1,3,4-oxadiazole-2-carboxamide.
What is the SMILES notation for 5-(4-methoxyphenyl)-N-propan-2-yl-1,3,4-oxadiazole-2-carboxamide?
The canonical SMILES for 5-(4-methoxyphenyl)-N-propan-2-yl-1,3,4-oxadiazole-2-carboxamide is COc1ccc(-c2nnc(C(=O)NC(C)C)o2)cc1.
What is the InChIKey of 5-(4-methoxyphenyl)-N-propan-2-yl-1,3,4-oxadiazole-2-carboxamide?
The InChIKey is ZHAMTLHUOJCOAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O3/c1-8(2)14-11(17)13-16-15-12(19-13)9-4-6-10(18-3)7-5-9/h4-8H,1-3H3,(H,14,17).
What are the key properties of 5-(4-methoxyphenyl)-N-propan-2-yl-1,3,4-oxadiazole-2-carboxamide?
5-(4-methoxyphenyl)-N-propan-2-yl-1,3,4-oxadiazole-2-carboxamide has a molecular weight of 261.28 g/mol, XLogP of 1.88, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methoxyphenyl)-N-propan-2-yl-1,3,4-oxadiazole-2-carboxamide is sourced from PubChem (CID 110392031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).