5-[(2-methylbenzimidazol-1-yl)methyl]-N-(oxolan-3-yl)-1,2-oxazole-3-carboxamide

C17H18N4O3 — CID 45172366

IUPAC5-[(2-methylbenzimidazol-1-yl)methyl]-N-(oxolan-3-yl)-1,2-oxazole-3-carboxamide
SMILESCc1nc2ccccc2n1Cc1cc(C(=O)NC2CCOC2)no1
InChIInChI=1S/C17H18N4O3/c1-11-18-14-4-2-3-5-16(14)21(11)9-13-8-15(20-24-13)17(22)19-12-6-7-23-10-12/h2-5,8,12H,6-7,9-10H2,1H3,(H,19,22)
InChIKeyOOHGTEANJOYJBD-UHFFFAOYSA-N
MW326.36 g/mol
LogP1.90
Rot. Bonds4

About 5-[(2-methylbenzimidazol-1-yl)methyl]-N-(oxolan-3-yl)-1,2-oxazole-3-carboxamide

5-[(2-methylbenzimidazol-1-yl)methyl]-N-(oxolan-3-yl)-1,2-oxazole-3-carboxamide (PubChem CID 45172366) has the molecular formula C17H18N4O3 and a molecular weight of 326.36 g/mol. Its IUPAC name is 5-[(2-methylbenzimidazol-1-yl)methyl]-N-(oxolan-3-yl)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-[(2-methylbenzimidazol-1-yl)methyl]-N-(oxolan-3-yl)-1,2-oxazole-3-carboxamide
PubChem CID45172366
Molecular FormulaC17H18N4O3
Molecular Weight326.36 g/mol
Exact Mass326.14
IUPAC Name5-[(2-methylbenzimidazol-1-yl)methyl]-N-(oxolan-3-yl)-1,2-oxazole-3-carboxamide
SMILESCc1nc2ccccc2n1Cc1cc(C(=O)NC2CCOC2)no1
InChIInChI=1S/C17H18N4O3/c1-11-18-14-4-2-3-5-16(14)21(11)9-13-8-15(20-24-13)17(22)19-12-6-7-23-10-12/h2-5,8,12H,6-7,9-10H2,1H3,(H,19,22)
InChIKeyOOHGTEANJOYJBD-UHFFFAOYSA-N
XLogP1.90
TPSA82.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.36
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[(2-methylbenzimidazol-1-yl)methyl]-N-(oxolan-3-yl)-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-[(2-methylbenzimidazol-1-yl)methyl]-N-(oxolan-3-yl)-1,2-oxazole-3-carboxamide (CID 45172366) is 5-[(2-methylbenzimidazol-1-yl)methyl]-N-(oxolan-3-yl)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-[(2-methylbenzimidazol-1-yl)methyl]-N-(oxolan-3-yl)-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-[(2-methylbenzimidazol-1-yl)methyl]-N-(oxolan-3-yl)-1,2-oxazole-3-carboxamide is Cc1nc2ccccc2n1Cc1cc(C(=O)NC2CCOC2)no1.
What is the InChIKey of 5-[(2-methylbenzimidazol-1-yl)methyl]-N-(oxolan-3-yl)-1,2-oxazole-3-carboxamide?
The InChIKey is OOHGTEANJOYJBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O3/c1-11-18-14-4-2-3-5-16(14)21(11)9-13-8-15(20-24-13)17(22)19-12-6-7-23-10-12/h2-5,8,12H,6-7,9-10H2,1H3,(H,19,22).
What are the key properties of 5-[(2-methylbenzimidazol-1-yl)methyl]-N-(oxolan-3-yl)-1,2-oxazole-3-carboxamide?
5-[(2-methylbenzimidazol-1-yl)methyl]-N-(oxolan-3-yl)-1,2-oxazole-3-carboxamide has a molecular weight of 326.36 g/mol, XLogP of 1.90, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-methylbenzimidazol-1-yl)methyl]-N-(oxolan-3-yl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 45172366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).