N-methyl-5-[(2-methylbenzimidazol-1-yl)methyl]-N-(oxan-4-yl)-1,2-oxazole-3-carboxamide

C19H22N4O3 — CID 26391772

IUPACN-methyl-5-[(2-methylbenzimidazol-1-yl)methyl]-N-(oxan-4-yl)-1,2-oxazole-3-carboxamide
SMILESCc1nc2ccccc2n1Cc1cc(C(=O)N(C)C2CCOCC2)no1
InChIInChI=1S/C19H22N4O3/c1-13-20-16-5-3-4-6-18(16)23(13)12-15-11-17(21-26-15)19(24)22(2)14-7-9-25-10-8-14/h3-6,11,14H,7-10,12H2,1-2H3
InChIKeyWYIJPGODCMUSAC-UHFFFAOYSA-N
MW354.41 g/mol
LogP2.63
Rot. Bonds4

About N-methyl-5-[(2-methylbenzimidazol-1-yl)methyl]-N-(oxan-4-yl)-1,2-oxazole-3-carboxamide

N-methyl-5-[(2-methylbenzimidazol-1-yl)methyl]-N-(oxan-4-yl)-1,2-oxazole-3-carboxamide (PubChem CID 26391772) has the molecular formula C19H22N4O3 and a molecular weight of 354.41 g/mol. Its IUPAC name is N-methyl-5-[(2-methylbenzimidazol-1-yl)methyl]-N-(oxan-4-yl)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-methyl-5-[(2-methylbenzimidazol-1-yl)methyl]-N-(oxan-4-yl)-1,2-oxazole-3-carboxamide
PubChem CID26391772
Molecular FormulaC19H22N4O3
Molecular Weight354.41 g/mol
Exact Mass354.17
IUPAC NameN-methyl-5-[(2-methylbenzimidazol-1-yl)methyl]-N-(oxan-4-yl)-1,2-oxazole-3-carboxamide
SMILESCc1nc2ccccc2n1Cc1cc(C(=O)N(C)C2CCOCC2)no1
InChIInChI=1S/C19H22N4O3/c1-13-20-16-5-3-4-6-18(16)23(13)12-15-11-17(21-26-15)19(24)22(2)14-7-9-25-10-8-14/h3-6,11,14H,7-10,12H2,1-2H3
InChIKeyWYIJPGODCMUSAC-UHFFFAOYSA-N
XLogP2.63
TPSA73.39 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-methyl-5-[(2-methylbenzimidazol-1-yl)methyl]-N-(oxan-4-yl)-1,2-oxazole-3-carboxamide?
The IUPAC name of N-methyl-5-[(2-methylbenzimidazol-1-yl)methyl]-N-(oxan-4-yl)-1,2-oxazole-3-carboxamide (CID 26391772) is N-methyl-5-[(2-methylbenzimidazol-1-yl)methyl]-N-(oxan-4-yl)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-methyl-5-[(2-methylbenzimidazol-1-yl)methyl]-N-(oxan-4-yl)-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-methyl-5-[(2-methylbenzimidazol-1-yl)methyl]-N-(oxan-4-yl)-1,2-oxazole-3-carboxamide is Cc1nc2ccccc2n1Cc1cc(C(=O)N(C)C2CCOCC2)no1.
What is the InChIKey of N-methyl-5-[(2-methylbenzimidazol-1-yl)methyl]-N-(oxan-4-yl)-1,2-oxazole-3-carboxamide?
The InChIKey is WYIJPGODCMUSAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O3/c1-13-20-16-5-3-4-6-18(16)23(13)12-15-11-17(21-26-15)19(24)22(2)14-7-9-25-10-8-14/h3-6,11,14H,7-10,12H2,1-2H3.
What are the key properties of N-methyl-5-[(2-methylbenzimidazol-1-yl)methyl]-N-(oxan-4-yl)-1,2-oxazole-3-carboxamide?
N-methyl-5-[(2-methylbenzimidazol-1-yl)methyl]-N-(oxan-4-yl)-1,2-oxazole-3-carboxamide has a molecular weight of 354.41 g/mol, XLogP of 2.63, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-5-[(2-methylbenzimidazol-1-yl)methyl]-N-(oxan-4-yl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 26391772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).