1-(2-ethoxyethyl)-N-methyl-N-(1,2-oxazol-5-ylmethyl)-2-oxo-3H-benzimidazole-5-carboxamide

C17H20N4O4 — CID 70768963

IUPAC1-(2-ethoxyethyl)-N-methyl-N-(1,2-oxazol-5-ylmethyl)-2-oxo-3H-benzimidazole-5-carboxamide
SMILESCCOCCn1c(=O)[nH]c2cc(C(=O)N(C)Cc3ccno3)ccc21
InChIInChI=1S/C17H20N4O4/c1-3-24-9-8-21-15-5-4-12(10-14(15)19-17(21)23)16(22)20(2)11-13-6-7-18-25-13/h4-7,10H,3,8-9,11H2,1-2H3,(H,19,23)
InChIKeyAOCXOHPOGWKDJR-UHFFFAOYSA-N
MW344.37 g/mol
LogP1.63
Rot. Bonds7

About 1-(2-ethoxyethyl)-N-methyl-N-(1,2-oxazol-5-ylmethyl)-2-oxo-3H-benzimidazole-5-carboxamide

1-(2-ethoxyethyl)-N-methyl-N-(1,2-oxazol-5-ylmethyl)-2-oxo-3H-benzimidazole-5-carboxamide (PubChem CID 70768963) has the molecular formula C17H20N4O4 and a molecular weight of 344.37 g/mol. Its IUPAC name is 1-(2-ethoxyethyl)-N-methyl-N-(1,2-oxazol-5-ylmethyl)-2-oxo-3H-benzimidazole-5-carboxamide.

Molecular Properties

Compound Name1-(2-ethoxyethyl)-N-methyl-N-(1,2-oxazol-5-ylmethyl)-2-oxo-3H-benzimidazole-5-carboxamide
PubChem CID70768963
Molecular FormulaC17H20N4O4
Molecular Weight344.37 g/mol
Exact Mass344.15
IUPAC Name1-(2-ethoxyethyl)-N-methyl-N-(1,2-oxazol-5-ylmethyl)-2-oxo-3H-benzimidazole-5-carboxamide
SMILESCCOCCn1c(=O)[nH]c2cc(C(=O)N(C)Cc3ccno3)ccc21
InChIInChI=1S/C17H20N4O4/c1-3-24-9-8-21-15-5-4-12(10-14(15)19-17(21)23)16(22)20(2)11-13-6-7-18-25-13/h4-7,10H,3,8-9,11H2,1-2H3,(H,19,23)
InChIKeyAOCXOHPOGWKDJR-UHFFFAOYSA-N
XLogP1.63
TPSA93.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.37
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(2-ethoxyethyl)-N-methyl-N-(1,2-oxazol-5-ylmethyl)-2-oxo-3H-benzimidazole-5-carboxamide?
The IUPAC name of 1-(2-ethoxyethyl)-N-methyl-N-(1,2-oxazol-5-ylmethyl)-2-oxo-3H-benzimidazole-5-carboxamide (CID 70768963) is 1-(2-ethoxyethyl)-N-methyl-N-(1,2-oxazol-5-ylmethyl)-2-oxo-3H-benzimidazole-5-carboxamide.
What is the SMILES notation for 1-(2-ethoxyethyl)-N-methyl-N-(1,2-oxazol-5-ylmethyl)-2-oxo-3H-benzimidazole-5-carboxamide?
The canonical SMILES for 1-(2-ethoxyethyl)-N-methyl-N-(1,2-oxazol-5-ylmethyl)-2-oxo-3H-benzimidazole-5-carboxamide is CCOCCn1c(=O)[nH]c2cc(C(=O)N(C)Cc3ccno3)ccc21.
What is the InChIKey of 1-(2-ethoxyethyl)-N-methyl-N-(1,2-oxazol-5-ylmethyl)-2-oxo-3H-benzimidazole-5-carboxamide?
The InChIKey is AOCXOHPOGWKDJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O4/c1-3-24-9-8-21-15-5-4-12(10-14(15)19-17(21)23)16(22)20(2)11-13-6-7-18-25-13/h4-7,10H,3,8-9,11H2,1-2H3,(H,19,23).
What are the key properties of 1-(2-ethoxyethyl)-N-methyl-N-(1,2-oxazol-5-ylmethyl)-2-oxo-3H-benzimidazole-5-carboxamide?
1-(2-ethoxyethyl)-N-methyl-N-(1,2-oxazol-5-ylmethyl)-2-oxo-3H-benzimidazole-5-carboxamide has a molecular weight of 344.37 g/mol, XLogP of 1.63, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethoxyethyl)-N-methyl-N-(1,2-oxazol-5-ylmethyl)-2-oxo-3H-benzimidazole-5-carboxamide is sourced from PubChem (CID 70768963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).