(2S)-N-(1H-imidazol-2-ylmethyl)-N-methyloxolane-2-carboxamide

C10H15N3O2 — CID 103873085

IUPAC(2S)-N-(1H-imidazol-2-ylmethyl)-N-methyloxolane-2-carboxamide
SMILESCN(Cc1ncc[nH]1)C(=O)[C@@H]1CCCO1
InChIInChI=1S/C10H15N3O2/c1-13(7-9-11-4-5-12-9)10(14)8-3-2-6-15-8/h4-5,8H,2-3,6-7H2,1H3,(H,11,12)/t8-/m0/s1
InChIKeyQUWXUAIDNRCSHQ-QMMMGPOBSA-N
MW209.25 g/mol
LogP0.55
Rot. Bonds3

About (2S)-N-(1H-imidazol-2-ylmethyl)-N-methyloxolane-2-carboxamide

(2S)-N-(1H-imidazol-2-ylmethyl)-N-methyloxolane-2-carboxamide (PubChem CID 103873085) has the molecular formula C10H15N3O2 and a molecular weight of 209.25 g/mol. Its IUPAC name is (2S)-N-(1H-imidazol-2-ylmethyl)-N-methyloxolane-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-(1H-imidazol-2-ylmethyl)-N-methyloxolane-2-carboxamide
PubChem CID103873085
Molecular FormulaC10H15N3O2
Molecular Weight209.25 g/mol
Exact Mass209.12
IUPAC Name(2S)-N-(1H-imidazol-2-ylmethyl)-N-methyloxolane-2-carboxamide
SMILESCN(Cc1ncc[nH]1)C(=O)[C@@H]1CCCO1
InChIInChI=1S/C10H15N3O2/c1-13(7-9-11-4-5-12-9)10(14)8-3-2-6-15-8/h4-5,8H,2-3,6-7H2,1H3,(H,11,12)/t8-/m0/s1
InChIKeyQUWXUAIDNRCSHQ-QMMMGPOBSA-N
XLogP0.55
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1H-imidazol-2-ylmethyl)-N-methylmorpholine-2-carboxamide
CID 64519803
N-(1H-imidazol-2-ylmethyl)-N,5-dimethyloxolane-2-carboxamide
CID 81002280
N-(1H-imidazol-2-ylmethyl)-N-methylbicyclo[4.1.0]heptane-7-carboxamide
CID 79209079
cis-(1S,2R)-2-[1H-imidazol-2-ylmethyl(methyl)carbamoyl]cyclopentane-1-carboxylic acid
CID 114092427
N-(1H-imidazol-2-ylmethyl)-N-methylpiperidine-4-carboxamide
CID 64519230
N-(1H-imidazol-2-ylmethyl)-N-methylbicyclo[2.2.1]heptane-2-carboxamide
CID 63929945
3-amino-N-(1H-imidazol-2-ylmethyl)-N-methylbicyclo[2.2.1]heptane-2-carboxamide
CID 64517297
2-cyclopropyl-N-(1H-imidazol-2-ylmethyl)-N-methylacetamide
CID 63940618
N-(1H-imidazol-2-ylmethyl)-N,2,4,5-tetramethyloxolane-3-carboxamide
CID 65160478
2-[cyclopentyl-[1H-imidazol-2-ylmethyl(methyl)carbamoyl]amino]acetic acid
CID 64519851
(2R)-N-methyl-N-[(2-pyrazol-1-ylphenyl)methyl]oxolane-2-carboxamide
CID 56755678
N-[2-(1H-imidazol-2-yl)ethyl]oxane-2-carboxamide
CID 115747744

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(1H-imidazol-2-ylmethyl)-N-methyloxolane-2-carboxamide?
The IUPAC name of (2S)-N-(1H-imidazol-2-ylmethyl)-N-methyloxolane-2-carboxamide (CID 103873085) is (2S)-N-(1H-imidazol-2-ylmethyl)-N-methyloxolane-2-carboxamide.
What is the SMILES notation for (2S)-N-(1H-imidazol-2-ylmethyl)-N-methyloxolane-2-carboxamide?
The canonical SMILES for (2S)-N-(1H-imidazol-2-ylmethyl)-N-methyloxolane-2-carboxamide is CN(Cc1ncc[nH]1)C(=O)[C@@H]1CCCO1.
What is the InChIKey of (2S)-N-(1H-imidazol-2-ylmethyl)-N-methyloxolane-2-carboxamide?
The InChIKey is QUWXUAIDNRCSHQ-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H15N3O2/c1-13(7-9-11-4-5-12-9)10(14)8-3-2-6-15-8/h4-5,8H,2-3,6-7H2,1H3,(H,11,12)/t8-/m0/s1.
What are the key properties of (2S)-N-(1H-imidazol-2-ylmethyl)-N-methyloxolane-2-carboxamide?
(2S)-N-(1H-imidazol-2-ylmethyl)-N-methyloxolane-2-carboxamide has a molecular weight of 209.25 g/mol, XLogP of 0.55, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(1H-imidazol-2-ylmethyl)-N-methyloxolane-2-carboxamide is sourced from PubChem (CID 103873085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).