N-(1H-imidazol-2-ylmethyl)-N,5-dimethyloxolane-2-carboxamide

C11H17N3O2 — CID 81002280

IUPACN-(1H-imidazol-2-ylmethyl)-N,5-dimethyloxolane-2-carboxamide
SMILESCC1CCC(C(=O)N(C)Cc2ncc[nH]2)O1
InChIInChI=1S/C11H17N3O2/c1-8-3-4-9(16-8)11(15)14(2)7-10-12-5-6-13-10/h5-6,8-9H,3-4,7H2,1-2H3,(H,12,13)
InChIKeyMOOJDUMXHMPCRJ-UHFFFAOYSA-N
MW223.28 g/mol
LogP0.94
Rot. Bonds3

About N-(1H-imidazol-2-ylmethyl)-N,5-dimethyloxolane-2-carboxamide

N-(1H-imidazol-2-ylmethyl)-N,5-dimethyloxolane-2-carboxamide (PubChem CID 81002280) has the molecular formula C11H17N3O2 and a molecular weight of 223.28 g/mol. Its IUPAC name is N-(1H-imidazol-2-ylmethyl)-N,5-dimethyloxolane-2-carboxamide.

Molecular Properties

Compound NameN-(1H-imidazol-2-ylmethyl)-N,5-dimethyloxolane-2-carboxamide
PubChem CID81002280
Molecular FormulaC11H17N3O2
Molecular Weight223.28 g/mol
Exact Mass223.13
IUPAC NameN-(1H-imidazol-2-ylmethyl)-N,5-dimethyloxolane-2-carboxamide
SMILESCC1CCC(C(=O)N(C)Cc2ncc[nH]2)O1
InChIInChI=1S/C11H17N3O2/c1-8-3-4-9(16-8)11(15)14(2)7-10-12-5-6-13-10/h5-6,8-9H,3-4,7H2,1-2H3,(H,12,13)
InChIKeyMOOJDUMXHMPCRJ-UHFFFAOYSA-N
XLogP0.94
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-N-(1H-imidazol-2-ylmethyl)-N-methyloxolane-2-carboxamide
CID 103873085
N-(1H-imidazol-2-ylmethyl)-N,2,4,5-tetramethyloxolane-3-carboxamide
CID 65160478
cis-(1S,2R)-2-[1H-imidazol-2-ylmethyl(methyl)carbamoyl]cyclopentane-1-carboxylic acid
CID 114092427
N-(1H-imidazol-2-ylmethyl)-N-methylmorpholine-2-carboxamide
CID 64519803
N-(1H-imidazol-2-ylmethyl)-N-methylpiperidine-4-carboxamide
CID 64519230
N-(1H-imidazol-2-ylmethyl)-N-methylbicyclo[4.1.0]heptane-7-carboxamide
CID 79209079
N-(1H-imidazol-2-ylmethyl)-N-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-2-carboxamide
CID 66470400
2-amino-N-(1H-imidazol-2-ylmethyl)-N-methylcyclopentane-1-carboxamide
CID 64852236
2-cyclopropyl-N-(1H-imidazol-2-ylmethyl)-N-methylacetamide
CID 63940618
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
(2S)-N-(1H-imidazol-2-ylmethyl)-N-methyl-2,3-dihydro-1H-indole-2-carboxamide
CID 64517494

Frequently Asked Questions

What is the IUPAC name of N-(1H-imidazol-2-ylmethyl)-N,5-dimethyloxolane-2-carboxamide?
The IUPAC name of N-(1H-imidazol-2-ylmethyl)-N,5-dimethyloxolane-2-carboxamide (CID 81002280) is N-(1H-imidazol-2-ylmethyl)-N,5-dimethyloxolane-2-carboxamide.
What is the SMILES notation for N-(1H-imidazol-2-ylmethyl)-N,5-dimethyloxolane-2-carboxamide?
The canonical SMILES for N-(1H-imidazol-2-ylmethyl)-N,5-dimethyloxolane-2-carboxamide is CC1CCC(C(=O)N(C)Cc2ncc[nH]2)O1.
What is the InChIKey of N-(1H-imidazol-2-ylmethyl)-N,5-dimethyloxolane-2-carboxamide?
The InChIKey is MOOJDUMXHMPCRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2/c1-8-3-4-9(16-8)11(15)14(2)7-10-12-5-6-13-10/h5-6,8-9H,3-4,7H2,1-2H3,(H,12,13).
What are the key properties of N-(1H-imidazol-2-ylmethyl)-N,5-dimethyloxolane-2-carboxamide?
N-(1H-imidazol-2-ylmethyl)-N,5-dimethyloxolane-2-carboxamide has a molecular weight of 223.28 g/mol, XLogP of 0.94, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-imidazol-2-ylmethyl)-N,5-dimethyloxolane-2-carboxamide is sourced from PubChem (CID 81002280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).