N-[2-(1-benzylimidazol-2-yl)ethyl]oxolane-2-carboxamide

C17H21N3O2 — CID 42951665

IUPACN-[2-(1-benzylimidazol-2-yl)ethyl]oxolane-2-carboxamide
SMILESO=C(NCCc1nccn1Cc1ccccc1)C1CCCO1
InChIInChI=1S/C17H21N3O2/c21-17(15-7-4-12-22-15)19-9-8-16-18-10-11-20(16)13-14-5-2-1-3-6-14/h1-3,5-6,10-11,15H,4,7-9,12-13H2,(H,19,21)
InChIKeyYCSSCBOTLXLQPB-UHFFFAOYSA-N
MW299.37 g/mol
LogP1.77
Rot. Bonds6

About N-[2-(1-benzylimidazol-2-yl)ethyl]oxolane-2-carboxamide

N-[2-(1-benzylimidazol-2-yl)ethyl]oxolane-2-carboxamide (PubChem CID 42951665) has the molecular formula C17H21N3O2 and a molecular weight of 299.37 g/mol. Its IUPAC name is N-[2-(1-benzylimidazol-2-yl)ethyl]oxolane-2-carboxamide.

Molecular Properties

Compound NameN-[2-(1-benzylimidazol-2-yl)ethyl]oxolane-2-carboxamide
PubChem CID42951665
Molecular FormulaC17H21N3O2
Molecular Weight299.37 g/mol
Exact Mass299.16
IUPAC NameN-[2-(1-benzylimidazol-2-yl)ethyl]oxolane-2-carboxamide
SMILESO=C(NCCc1nccn1Cc1ccccc1)C1CCCO1
InChIInChI=1S/C17H21N3O2/c21-17(15-7-4-12-22-15)19-9-8-16-18-10-11-20(16)13-14-5-2-1-3-6-14/h1-3,5-6,10-11,15H,4,7-9,12-13H2,(H,19,21)
InChIKeyYCSSCBOTLXLQPB-UHFFFAOYSA-N
XLogP1.77
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(1-benzylimidazol-2-yl)ethyl]oxolane-2-carboxamide?
The IUPAC name of N-[2-(1-benzylimidazol-2-yl)ethyl]oxolane-2-carboxamide (CID 42951665) is N-[2-(1-benzylimidazol-2-yl)ethyl]oxolane-2-carboxamide.
What is the SMILES notation for N-[2-(1-benzylimidazol-2-yl)ethyl]oxolane-2-carboxamide?
The canonical SMILES for N-[2-(1-benzylimidazol-2-yl)ethyl]oxolane-2-carboxamide is O=C(NCCc1nccn1Cc1ccccc1)C1CCCO1.
What is the InChIKey of N-[2-(1-benzylimidazol-2-yl)ethyl]oxolane-2-carboxamide?
The InChIKey is YCSSCBOTLXLQPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O2/c21-17(15-7-4-12-22-15)19-9-8-16-18-10-11-20(16)13-14-5-2-1-3-6-14/h1-3,5-6,10-11,15H,4,7-9,12-13H2,(H,19,21).
What are the key properties of N-[2-(1-benzylimidazol-2-yl)ethyl]oxolane-2-carboxamide?
N-[2-(1-benzylimidazol-2-yl)ethyl]oxolane-2-carboxamide has a molecular weight of 299.37 g/mol, XLogP of 1.77, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-benzylimidazol-2-yl)ethyl]oxolane-2-carboxamide is sourced from PubChem (CID 42951665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).