N-(3-methyl-5-propan-2-yl-1,2-oxazol-4-yl)-3H-benzimidazole-5-carboxamide

C15H16N4O2 — CID 136569300

IUPACN-(3-methyl-5-propan-2-yl-1,2-oxazol-4-yl)-3H-benzimidazole-5-carboxamide
SMILESCc1noc(C(C)C)c1NC(=O)c1ccc2nc[nH]c2c1
InChIInChI=1S/C15H16N4O2/c1-8(2)14-13(9(3)19-21-14)18-15(20)10-4-5-11-12(6-10)17-7-16-11/h4-8H,1-3H3,(H,16,17)(H,18,20)
InChIKeyXTRSQGBPZAKLHI-UHFFFAOYSA-N
MW284.32 g/mol
LogP3.24
Rot. Bonds3

About N-(3-methyl-5-propan-2-yl-1,2-oxazol-4-yl)-3H-benzimidazole-5-carboxamide

N-(3-methyl-5-propan-2-yl-1,2-oxazol-4-yl)-3H-benzimidazole-5-carboxamide (PubChem CID 136569300) has the molecular formula C15H16N4O2 and a molecular weight of 284.32 g/mol. Its IUPAC name is N-(3-methyl-5-propan-2-yl-1,2-oxazol-4-yl)-3H-benzimidazole-5-carboxamide.

Molecular Properties

Compound NameN-(3-methyl-5-propan-2-yl-1,2-oxazol-4-yl)-3H-benzimidazole-5-carboxamide
PubChem CID136569300
Molecular FormulaC15H16N4O2
Molecular Weight284.32 g/mol
Exact Mass284.13
IUPAC NameN-(3-methyl-5-propan-2-yl-1,2-oxazol-4-yl)-3H-benzimidazole-5-carboxamide
SMILESCc1noc(C(C)C)c1NC(=O)c1ccc2nc[nH]c2c1
InChIInChI=1S/C15H16N4O2/c1-8(2)14-13(9(3)19-21-14)18-15(20)10-4-5-11-12(6-10)17-7-16-11/h4-8H,1-3H3,(H,16,17)(H,18,20)
InChIKeyXTRSQGBPZAKLHI-UHFFFAOYSA-N
XLogP3.24
TPSA83.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.32
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-(3-methyl-5-propan-2-yl-1,2-oxazol-4-yl)-3H-benzimidazole-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

Frequently Asked Questions

What is the IUPAC name of N-(3-methyl-5-propan-2-yl-1,2-oxazol-4-yl)-3H-benzimidazole-5-carboxamide?
The IUPAC name of N-(3-methyl-5-propan-2-yl-1,2-oxazol-4-yl)-3H-benzimidazole-5-carboxamide (CID 136569300) is N-(3-methyl-5-propan-2-yl-1,2-oxazol-4-yl)-3H-benzimidazole-5-carboxamide.
What is the SMILES notation for N-(3-methyl-5-propan-2-yl-1,2-oxazol-4-yl)-3H-benzimidazole-5-carboxamide?
The canonical SMILES for N-(3-methyl-5-propan-2-yl-1,2-oxazol-4-yl)-3H-benzimidazole-5-carboxamide is Cc1noc(C(C)C)c1NC(=O)c1ccc2nc[nH]c2c1.
What is the InChIKey of N-(3-methyl-5-propan-2-yl-1,2-oxazol-4-yl)-3H-benzimidazole-5-carboxamide?
The InChIKey is XTRSQGBPZAKLHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O2/c1-8(2)14-13(9(3)19-21-14)18-15(20)10-4-5-11-12(6-10)17-7-16-11/h4-8H,1-3H3,(H,16,17)(H,18,20).
What are the key properties of N-(3-methyl-5-propan-2-yl-1,2-oxazol-4-yl)-3H-benzimidazole-5-carboxamide?
N-(3-methyl-5-propan-2-yl-1,2-oxazol-4-yl)-3H-benzimidazole-5-carboxamide has a molecular weight of 284.32 g/mol, XLogP of 3.24, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methyl-5-propan-2-yl-1,2-oxazol-4-yl)-3H-benzimidazole-5-carboxamide is sourced from PubChem (CID 136569300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).