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

C11H17N3O2 — CID 115735316

IUPACN-[2-(1H-imidazol-2-yl)ethyl]-3-methyloxolane-2-carboxamide
SMILESCC1CCOC1C(=O)NCCc1ncc[nH]1
InChIInChI=1S/C11H17N3O2/c1-8-3-7-16-10(8)11(15)14-4-2-9-12-5-6-13-9/h5-6,8,10H,2-4,7H2,1H3,(H,12,13)(H,14,15)
InChIKeyRPGIKTHVFXAICT-UHFFFAOYSA-N
MW223.28 g/mol
LogP0.49
Rot. Bonds4

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

N-[2-(1H-imidazol-2-yl)ethyl]-3-methyloxolane-2-carboxamide (PubChem CID 115735316) has the molecular formula C11H17N3O2 and a molecular weight of 223.28 g/mol. Its IUPAC name is N-[2-(1H-imidazol-2-yl)ethyl]-3-methyloxolane-2-carboxamide.

Molecular Properties

Compound NameN-[2-(1H-imidazol-2-yl)ethyl]-3-methyloxolane-2-carboxamide
PubChem CID115735316
Molecular FormulaC11H17N3O2
Molecular Weight223.28 g/mol
Exact Mass223.13
IUPAC NameN-[2-(1H-imidazol-2-yl)ethyl]-3-methyloxolane-2-carboxamide
SMILESCC1CCOC1C(=O)NCCc1ncc[nH]1
InChIInChI=1S/C11H17N3O2/c1-8-3-7-16-10(8)11(15)14-4-2-9-12-5-6-13-9/h5-6,8,10H,2-4,7H2,1H3,(H,12,13)(H,14,15)
InChIKeyRPGIKTHVFXAICT-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-2-yl)ethyl]oxane-2-carboxamide
CID 115747744
N-[3-[2-(1H-imidazol-2-yl)ethylamino]-3-oxopropyl]-2-methylcyclopropane-1-carboxamide
CID 115620229
4-butyl-N-[2-(1H-imidazol-2-yl)ethyl]cyclohexane-1-carboxamide
CID 115649554
ethane;N-[2-(1H-imidazol-2-yl)ethyl]propanamide
CID 143717261
1-ethyl-N-[2-(1H-imidazol-2-yl)ethyl]piperidine-3-carboxamide
CID 119073659
N-[2-(1H-imidazol-2-yl)ethyl]-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide
CID 115668365
trans-(1S,2S)-N-(1H-imidazol-2-ylmethyl)-2-methylcyclopropane-1-carboxamide
CID 130622379
1-(cyclopropanecarbonyl)-N-[2-(1H-imidazol-2-yl)ethyl]piperidine-3-carboxamide
CID 115620012
3-methyl-N-[2-(4-sulfamoylphenyl)ethyl]oxolane-2-carboxamide
CID 81425700
N-(3-iodopropyl)-3-methyloxolane-2-carboxamide
CID 114503961
1-(2-hydroxyethyl)-N-[2-(1H-imidazol-2-yl)ethyl]piperidine-3-carboxamide
CID 118772758
trans-(1R,3S)-3-N-ethyl-1-N-[2-(1H-imidazol-2-yl)ethyl]-1,2,2-trimethylcyclopentane-1,3-dicarboxamide
CID 118761460

Frequently Asked Questions

What is the IUPAC name of N-[2-(1H-imidazol-2-yl)ethyl]-3-methyloxolane-2-carboxamide?
The IUPAC name of N-[2-(1H-imidazol-2-yl)ethyl]-3-methyloxolane-2-carboxamide (CID 115735316) is N-[2-(1H-imidazol-2-yl)ethyl]-3-methyloxolane-2-carboxamide.
What is the SMILES notation for N-[2-(1H-imidazol-2-yl)ethyl]-3-methyloxolane-2-carboxamide?
The canonical SMILES for N-[2-(1H-imidazol-2-yl)ethyl]-3-methyloxolane-2-carboxamide is CC1CCOC1C(=O)NCCc1ncc[nH]1.
What is the InChIKey of N-[2-(1H-imidazol-2-yl)ethyl]-3-methyloxolane-2-carboxamide?
The InChIKey is RPGIKTHVFXAICT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2/c1-8-3-7-16-10(8)11(15)14-4-2-9-12-5-6-13-9/h5-6,8,10H,2-4,7H2,1H3,(H,12,13)(H,14,15).
What are the key properties of N-[2-(1H-imidazol-2-yl)ethyl]-3-methyloxolane-2-carboxamide?
N-[2-(1H-imidazol-2-yl)ethyl]-3-methyloxolane-2-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-2-yl)ethyl]-3-methyloxolane-2-carboxamide is sourced from PubChem (CID 115735316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).