2-(benzimidazol-1-ylmethyl)-N-(oxolan-2-ylmethyl)-1,3-oxazole-4-carboxamide

C17H18N4O3 — CID 56716414

IUPAC2-(benzimidazol-1-ylmethyl)-N-(oxolan-2-ylmethyl)-1,3-oxazole-4-carboxamide
SMILESO=C(NCC1CCCO1)c1coc(Cn2cnc3ccccc32)n1
InChIInChI=1S/C17H18N4O3/c22-17(18-8-12-4-3-7-23-12)14-10-24-16(20-14)9-21-11-19-13-5-1-2-6-15(13)21/h1-2,5-6,10-12H,3-4,7-9H2,(H,18,22)
InChIKeyFDFQLHJWKLJEND-UHFFFAOYSA-N
MW326.36 g/mol
LogP1.98
Rot. Bonds5

About 2-(benzimidazol-1-ylmethyl)-N-(oxolan-2-ylmethyl)-1,3-oxazole-4-carboxamide

2-(benzimidazol-1-ylmethyl)-N-(oxolan-2-ylmethyl)-1,3-oxazole-4-carboxamide (PubChem CID 56716414) has the molecular formula C17H18N4O3 and a molecular weight of 326.36 g/mol. Its IUPAC name is 2-(benzimidazol-1-ylmethyl)-N-(oxolan-2-ylmethyl)-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name2-(benzimidazol-1-ylmethyl)-N-(oxolan-2-ylmethyl)-1,3-oxazole-4-carboxamide
PubChem CID56716414
Molecular FormulaC17H18N4O3
Molecular Weight326.36 g/mol
Exact Mass326.14
IUPAC Name2-(benzimidazol-1-ylmethyl)-N-(oxolan-2-ylmethyl)-1,3-oxazole-4-carboxamide
SMILESO=C(NCC1CCCO1)c1coc(Cn2cnc3ccccc32)n1
InChIInChI=1S/C17H18N4O3/c22-17(18-8-12-4-3-7-23-12)14-10-24-16(20-14)9-21-11-19-13-5-1-2-6-15(13)21/h1-2,5-6,10-12H,3-4,7-9H2,(H,18,22)
InChIKeyFDFQLHJWKLJEND-UHFFFAOYSA-N
XLogP1.98
TPSA82.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.36
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(benzimidazol-1-ylmethyl)-N-(oxolan-2-ylmethyl)-1,3-oxazole-4-carboxamide?
The IUPAC name of 2-(benzimidazol-1-ylmethyl)-N-(oxolan-2-ylmethyl)-1,3-oxazole-4-carboxamide (CID 56716414) is 2-(benzimidazol-1-ylmethyl)-N-(oxolan-2-ylmethyl)-1,3-oxazole-4-carboxamide.
What is the SMILES notation for 2-(benzimidazol-1-ylmethyl)-N-(oxolan-2-ylmethyl)-1,3-oxazole-4-carboxamide?
The canonical SMILES for 2-(benzimidazol-1-ylmethyl)-N-(oxolan-2-ylmethyl)-1,3-oxazole-4-carboxamide is O=C(NCC1CCCO1)c1coc(Cn2cnc3ccccc32)n1.
What is the InChIKey of 2-(benzimidazol-1-ylmethyl)-N-(oxolan-2-ylmethyl)-1,3-oxazole-4-carboxamide?
The InChIKey is FDFQLHJWKLJEND-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O3/c22-17(18-8-12-4-3-7-23-12)14-10-24-16(20-14)9-21-11-19-13-5-1-2-6-15(13)21/h1-2,5-6,10-12H,3-4,7-9H2,(H,18,22).
What are the key properties of 2-(benzimidazol-1-ylmethyl)-N-(oxolan-2-ylmethyl)-1,3-oxazole-4-carboxamide?
2-(benzimidazol-1-ylmethyl)-N-(oxolan-2-ylmethyl)-1,3-oxazole-4-carboxamide has a molecular weight of 326.36 g/mol, XLogP of 1.98, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzimidazol-1-ylmethyl)-N-(oxolan-2-ylmethyl)-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 56716414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).