N-[2-(1H-imidazol-5-yl)ethyl]-5-methyloxolane-3-carboxamide

C11H17N3O2 — CID 114826330

IUPACN-[2-(1H-imidazol-5-yl)ethyl]-5-methyloxolane-3-carboxamide
SMILESCC1CC(C(=O)NCCc2cnc[nH]2)CO1
InChIInChI=1S/C11H17N3O2/c1-8-4-9(6-16-8)11(15)13-3-2-10-5-12-7-14-10/h5,7-9H,2-4,6H2,1H3,(H,12,14)(H,13,15)
InChIKeyLKOQGABUBNSZGW-UHFFFAOYSA-N
MW223.28 g/mol
LogP0.49
Rot. Bonds4

About N-[2-(1H-imidazol-5-yl)ethyl]-5-methyloxolane-3-carboxamide

N-[2-(1H-imidazol-5-yl)ethyl]-5-methyloxolane-3-carboxamide (PubChem CID 114826330) has the molecular formula C11H17N3O2 and a molecular weight of 223.28 g/mol. Its IUPAC name is N-[2-(1H-imidazol-5-yl)ethyl]-5-methyloxolane-3-carboxamide.

Molecular Properties

Compound NameN-[2-(1H-imidazol-5-yl)ethyl]-5-methyloxolane-3-carboxamide
PubChem CID114826330
Molecular FormulaC11H17N3O2
Molecular Weight223.28 g/mol
Exact Mass223.13
IUPAC NameN-[2-(1H-imidazol-5-yl)ethyl]-5-methyloxolane-3-carboxamide
SMILESCC1CC(C(=O)NCCc2cnc[nH]2)CO1
InChIInChI=1S/C11H17N3O2/c1-8-4-9(6-16-8)11(15)13-3-2-10-5-12-7-14-10/h5,7-9H,2-4,6H2,1H3,(H,12,14)(H,13,15)
InChIKeyLKOQGABUBNSZGW-UHFFFAOYSA-N
XLogP0.49
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 50.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(1H-imidazol-5-yl)ethyl]-5-methyloxolane-3-carboxamide?
The IUPAC name of N-[2-(1H-imidazol-5-yl)ethyl]-5-methyloxolane-3-carboxamide (CID 114826330) is N-[2-(1H-imidazol-5-yl)ethyl]-5-methyloxolane-3-carboxamide.
What is the SMILES notation for N-[2-(1H-imidazol-5-yl)ethyl]-5-methyloxolane-3-carboxamide?
The canonical SMILES for N-[2-(1H-imidazol-5-yl)ethyl]-5-methyloxolane-3-carboxamide is CC1CC(C(=O)NCCc2cnc[nH]2)CO1.
What is the InChIKey of N-[2-(1H-imidazol-5-yl)ethyl]-5-methyloxolane-3-carboxamide?
The InChIKey is LKOQGABUBNSZGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2/c1-8-4-9(6-16-8)11(15)13-3-2-10-5-12-7-14-10/h5,7-9H,2-4,6H2,1H3,(H,12,14)(H,13,15).
What are the key properties of N-[2-(1H-imidazol-5-yl)ethyl]-5-methyloxolane-3-carboxamide?
N-[2-(1H-imidazol-5-yl)ethyl]-5-methyloxolane-3-carboxamide has a molecular weight of 223.28 g/mol, XLogP of 0.49, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1H-imidazol-5-yl)ethyl]-5-methyloxolane-3-carboxamide is sourced from PubChem (CID 114826330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).