N-(1H-benzimidazol-2-ylmethyl)-1-(5-thiophen-2-yl-1,2-oxazol-3-yl)cyclopropane-1-carboxamide

C19H16N4O2S — CID 90502470

IUPACN-(1H-benzimidazol-2-ylmethyl)-1-(5-thiophen-2-yl-1,2-oxazol-3-yl)cyclopropane-1-carboxamide
SMILESO=C(NCc1nc2ccccc2[nH]1)C1(c2cc(-c3cccs3)on2)CC1
InChIInChI=1S/C19H16N4O2S/c24-18(20-11-17-21-12-4-1-2-5-13(12)22-17)19(7-8-19)16-10-14(25-23-16)15-6-3-9-26-15/h1-6,9-10H,7-8,11H2,(H,20,24)(H,21,22)
InChIKeyFLZWUVKALODIFL-UHFFFAOYSA-N
MW364.43 g/mol
LogP3.63
Rot. Bonds5

About N-(1H-benzimidazol-2-ylmethyl)-1-(5-thiophen-2-yl-1,2-oxazol-3-yl)cyclopropane-1-carboxamide

N-(1H-benzimidazol-2-ylmethyl)-1-(5-thiophen-2-yl-1,2-oxazol-3-yl)cyclopropane-1-carboxamide (PubChem CID 90502470) has the molecular formula C19H16N4O2S and a molecular weight of 364.43 g/mol. Its IUPAC name is N-(1H-benzimidazol-2-ylmethyl)-1-(5-thiophen-2-yl-1,2-oxazol-3-yl)cyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-(1H-benzimidazol-2-ylmethyl)-1-(5-thiophen-2-yl-1,2-oxazol-3-yl)cyclopropane-1-carboxamide
PubChem CID90502470
Molecular FormulaC19H16N4O2S
Molecular Weight364.43 g/mol
Exact Mass364.10
IUPAC NameN-(1H-benzimidazol-2-ylmethyl)-1-(5-thiophen-2-yl-1,2-oxazol-3-yl)cyclopropane-1-carboxamide
SMILESO=C(NCc1nc2ccccc2[nH]1)C1(c2cc(-c3cccs3)on2)CC1
InChIInChI=1S/C19H16N4O2S/c24-18(20-11-17-21-12-4-1-2-5-13(12)22-17)19(7-8-19)16-10-14(25-23-16)15-6-3-9-26-15/h1-6,9-10H,7-8,11H2,(H,20,24)(H,21,22)
InChIKeyFLZWUVKALODIFL-UHFFFAOYSA-N
XLogP3.63
TPSA83.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.43
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-(1H-benzimidazol-2-ylmethyl)-1-(5-thiophen-2-yl-1,2-oxazol-3-yl)cyclopropane-1-carboxamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(1H-benzimidazol-2-ylmethyl)-1-(5-thiophen-2-yl-1,2-oxazol-3-yl)cyclopropane-1-carboxamide?
The IUPAC name of N-(1H-benzimidazol-2-ylmethyl)-1-(5-thiophen-2-yl-1,2-oxazol-3-yl)cyclopropane-1-carboxamide (CID 90502470) is N-(1H-benzimidazol-2-ylmethyl)-1-(5-thiophen-2-yl-1,2-oxazol-3-yl)cyclopropane-1-carboxamide.
What is the SMILES notation for N-(1H-benzimidazol-2-ylmethyl)-1-(5-thiophen-2-yl-1,2-oxazol-3-yl)cyclopropane-1-carboxamide?
The canonical SMILES for N-(1H-benzimidazol-2-ylmethyl)-1-(5-thiophen-2-yl-1,2-oxazol-3-yl)cyclopropane-1-carboxamide is O=C(NCc1nc2ccccc2[nH]1)C1(c2cc(-c3cccs3)on2)CC1.
What is the InChIKey of N-(1H-benzimidazol-2-ylmethyl)-1-(5-thiophen-2-yl-1,2-oxazol-3-yl)cyclopropane-1-carboxamide?
The InChIKey is FLZWUVKALODIFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4O2S/c24-18(20-11-17-21-12-4-1-2-5-13(12)22-17)19(7-8-19)16-10-14(25-23-16)15-6-3-9-26-15/h1-6,9-10H,7-8,11H2,(H,20,24)(H,21,22).
What are the key properties of N-(1H-benzimidazol-2-ylmethyl)-1-(5-thiophen-2-yl-1,2-oxazol-3-yl)cyclopropane-1-carboxamide?
N-(1H-benzimidazol-2-ylmethyl)-1-(5-thiophen-2-yl-1,2-oxazol-3-yl)cyclopropane-1-carboxamide has a molecular weight of 364.43 g/mol, XLogP of 3.63, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-benzimidazol-2-ylmethyl)-1-(5-thiophen-2-yl-1,2-oxazol-3-yl)cyclopropane-1-carboxamide is sourced from PubChem (CID 90502470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).