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

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Related Compounds

N-[2-(1H-indol-3-yl)ethyl]-1-(5-thiophen-2-yl-1,2-oxazol-3-yl)cyclopropane-1-carboxamide
CID 90502561
N-(1H-benzimidazol-2-ylmethyl)thiophene-2-carboxamide
CID 751095
N-benzhydryl-1-(5-thiophen-2-yl-1,2-oxazol-3-yl)cyclopropane-1-carboxamide
CID 90502552
N-(4-acetamidophenyl)-1-(5-thiophen-2-yl-1,2-oxazol-3-yl)cyclopropane-1-carboxamide
CID 90502598
N-(5-methyl-1,3-thiazol-2-yl)-1-(5-thiophen-2-yl-1,2-oxazol-3-yl)cyclopropane-1-carboxamide
CID 90502740
N-(3,5-dichlorophenyl)-1-(5-thiophen-2-yl-1,2-oxazol-3-yl)cyclopropane-1-carboxamide
CID 90502682
N-(1-adamantyl)-1-(5-thiophen-2-yl-1,2-oxazol-3-yl)cyclopropane-1-carboxamide
CID 90502699
N-(1H-benzimidazol-2-ylmethyl)-4-thiophen-2-ylbutanamide
CID 17406287
1-(5-phenyl-1,2-oxazol-3-yl)-N-(2-thiophen-2-ylethyl)cyclopropane-1-carboxamide
CID 90503329
1-(5-thiophen-2-yl-1,2-oxazol-3-yl)cyclobutane-1-carboxylic acid
CID 102543851
4-(aminomethyl)-N-(1H-benzimidazol-2-ylmethyl)oxane-4-carboxamide
CID 120939430
N-(2-methyl-1,3-benzothiazol-5-yl)-1-(5-thiophen-2-yl-1,2-oxazol-3-yl)cyclopropane-1-carboxamide
CID 90502732

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).