3-cyclopropyl-N-[[2-(1H-imidazol-2-yl)phenyl]methyl]-1,2,4-oxadiazole-5-carboxamide

C16H15N5O2 — CID 146144586

IUPAC3-cyclopropyl-N-[[2-(1H-imidazol-2-yl)phenyl]methyl]-1,2,4-oxadiazole-5-carboxamide
SMILESO=C(NCc1ccccc1-c1ncc[nH]1)c1nc(C2CC2)no1
InChIInChI=1S/C16H15N5O2/c22-15(16-20-13(21-23-16)10-5-6-10)19-9-11-3-1-2-4-12(11)14-17-7-8-18-14/h1-4,7-8,10H,5-6,9H2,(H,17,18)(H,19,22)
InChIKeyYMXPNJATICWPBB-UHFFFAOYSA-N
MW309.33 g/mol
LogP2.27
Rot. Bonds5

About 3-cyclopropyl-N-[[2-(1H-imidazol-2-yl)phenyl]methyl]-1,2,4-oxadiazole-5-carboxamide

3-cyclopropyl-N-[[2-(1H-imidazol-2-yl)phenyl]methyl]-1,2,4-oxadiazole-5-carboxamide (PubChem CID 146144586) has the molecular formula C16H15N5O2 and a molecular weight of 309.33 g/mol. Its IUPAC name is 3-cyclopropyl-N-[[2-(1H-imidazol-2-yl)phenyl]methyl]-1,2,4-oxadiazole-5-carboxamide.

Molecular Properties

Compound Name3-cyclopropyl-N-[[2-(1H-imidazol-2-yl)phenyl]methyl]-1,2,4-oxadiazole-5-carboxamide
PubChem CID146144586
Molecular FormulaC16H15N5O2
Molecular Weight309.33 g/mol
Exact Mass309.12
IUPAC Name3-cyclopropyl-N-[[2-(1H-imidazol-2-yl)phenyl]methyl]-1,2,4-oxadiazole-5-carboxamide
SMILESO=C(NCc1ccccc1-c1ncc[nH]1)c1nc(C2CC2)no1
InChIInChI=1S/C16H15N5O2/c22-15(16-20-13(21-23-16)10-5-6-10)19-9-11-3-1-2-4-12(11)14-17-7-8-18-14/h1-4,7-8,10H,5-6,9H2,(H,17,18)(H,19,22)
InChIKeyYMXPNJATICWPBB-UHFFFAOYSA-N
XLogP2.27
TPSA96.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.33
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-cyclopropyl-N-[[2-(1H-imidazol-2-yl)phenyl]methyl]-1,2,4-oxadiazole-5-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

3-cyclopropyl-N-[(6-hydroxynaphthalen-2-yl)methyl]-1,2,4-oxadiazole-5-carboxamide
CID 155963728
3-cyclopropyl-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]-1,2,4-oxadiazole-5-carboxamide
CID 154866625
N-(cyclopentylmethyl)-3-cyclopropyl-1,2,4-oxadiazole-5-carboxamide
CID 155953439
3-(4-phenylcyclohexyl)-1,2,4-oxadiazole-5-carboxamide
CID 139019188
[2-(1H-imidazol-2-yl)phenyl]methanol
CID 54081876
N-[[2-(1H-imidazol-2-yl)phenyl]methyl]-5-methyl-1-(2-methylpropyl)pyrazole-4-carboxamide
CID 126827385
3-cyclopropyl-N-[2-[(2,5-dichlorobenzoyl)amino]ethyl]-1,2,4-oxadiazole-5-carboxamide
CID 17084072
3-cyclopropyl-N-[2-[(2-nitrobenzoyl)amino]ethyl]-1,2,4-oxadiazole-5-carboxamide
CID 17084113
3-cyclopropyl-N-[(2R)-2-[(3-cyclopropyl-1,2,4-oxadiazole-5-carbonyl)amino]-3-hydroxypropyl]-1,2,4-oxadiazole-5-carboxamide
CID 126832909
3-cyclopropyl-N-[2-[[2-(4-methylphenoxy)acetyl]amino]ethyl]-1,2,4-oxadiazole-5-carboxamide
CID 17084115
3-cyclopropyl-N-[2-(4-methylphenoxy)ethyl]-1,2,4-oxadiazole-5-carboxamide
CID 126824030
N-[(5-cyclopropyl-2-methylphenyl)methyl]-1H-imidazole-2-carboxamide
CID 166318416

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-N-[[2-(1H-imidazol-2-yl)phenyl]methyl]-1,2,4-oxadiazole-5-carboxamide?
The IUPAC name of 3-cyclopropyl-N-[[2-(1H-imidazol-2-yl)phenyl]methyl]-1,2,4-oxadiazole-5-carboxamide (CID 146144586) is 3-cyclopropyl-N-[[2-(1H-imidazol-2-yl)phenyl]methyl]-1,2,4-oxadiazole-5-carboxamide.
What is the SMILES notation for 3-cyclopropyl-N-[[2-(1H-imidazol-2-yl)phenyl]methyl]-1,2,4-oxadiazole-5-carboxamide?
The canonical SMILES for 3-cyclopropyl-N-[[2-(1H-imidazol-2-yl)phenyl]methyl]-1,2,4-oxadiazole-5-carboxamide is O=C(NCc1ccccc1-c1ncc[nH]1)c1nc(C2CC2)no1.
What is the InChIKey of 3-cyclopropyl-N-[[2-(1H-imidazol-2-yl)phenyl]methyl]-1,2,4-oxadiazole-5-carboxamide?
The InChIKey is YMXPNJATICWPBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N5O2/c22-15(16-20-13(21-23-16)10-5-6-10)19-9-11-3-1-2-4-12(11)14-17-7-8-18-14/h1-4,7-8,10H,5-6,9H2,(H,17,18)(H,19,22).
What are the key properties of 3-cyclopropyl-N-[[2-(1H-imidazol-2-yl)phenyl]methyl]-1,2,4-oxadiazole-5-carboxamide?
3-cyclopropyl-N-[[2-(1H-imidazol-2-yl)phenyl]methyl]-1,2,4-oxadiazole-5-carboxamide has a molecular weight of 309.33 g/mol, XLogP of 2.27, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-N-[[2-(1H-imidazol-2-yl)phenyl]methyl]-1,2,4-oxadiazole-5-carboxamide is sourced from PubChem (CID 146144586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).