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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Related Compounds

N-[2-(1H-imidazol-5-yl)ethyl]cyclopent-3-ene-1-carboxamide
CID 64982967
4-amino-N-[2-(1H-imidazol-5-yl)ethyl]cyclohexane-1-carboxamide
CID 65232143
N-[2-(1H-imidazol-5-yl)ethyl]piperidine-3-carboxamide
CID 65232091
5-methyl-N-[3-(1H-1,2,4-triazol-5-yl)propyl]oxolane-3-carboxamide
CID 114826327
(3R)-N-[2-(1H-imidazol-5-yl)ethyl]-8-methoxy-3,4-dihydro-2H-chromene-3-carboxamide
CID 97142689
3-[2-(1H-imidazol-5-yl)ethylcarbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid
CID 65232024
(2S)-N-[2-(1H-imidazol-5-yl)ethyl]pyrrolidine-2-carboxamide
CID 15296546
3-[2-(1H-imidazol-5-yl)ethylcarbamoyl]-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid
CID 68665371
N-[1-[2-(1H-imidazol-5-yl)ethylamino]-3-methyl-1-oxobutan-2-yl]-4-methylcyclohexane-1-carboxamide
CID 22422539
N-[2-(1H-imidazol-5-yl)ethyl]but-2-enamide
CID 77051956
2-(1H-imidazol-5-yl)ethylurea
CID 10582986
N-[2-(1H-imidazol-5-yl)ethyl]-1-(oxan-4-yl)piperidine-3-carboxamide
CID 72876993

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).