N-(1H-imidazol-5-ylmethyl)-5-methyloxolane-2-carboxamide

C10H15N3O2 — CID 81002876

IUPACN-(1H-imidazol-5-ylmethyl)-5-methyloxolane-2-carboxamide
SMILESCC1CCC(C(=O)NCc2cnc[nH]2)O1
InChIInChI=1S/C10H15N3O2/c1-7-2-3-9(15-7)10(14)12-5-8-4-11-6-13-8/h4,6-7,9H,2-3,5H2,1H3,(H,11,13)(H,12,14)
InChIKeySHKQKQOBOMJAPF-UHFFFAOYSA-N
MW209.25 g/mol
LogP0.59
Rot. Bonds3

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

N-(1H-imidazol-5-ylmethyl)-5-methyloxolane-2-carboxamide (PubChem CID 81002876) has the molecular formula C10H15N3O2 and a molecular weight of 209.25 g/mol. Its IUPAC name is N-(1H-imidazol-5-ylmethyl)-5-methyloxolane-2-carboxamide.

Molecular Properties

Compound NameN-(1H-imidazol-5-ylmethyl)-5-methyloxolane-2-carboxamide
PubChem CID81002876
Molecular FormulaC10H15N3O2
Molecular Weight209.25 g/mol
Exact Mass209.12
IUPAC NameN-(1H-imidazol-5-ylmethyl)-5-methyloxolane-2-carboxamide
SMILESCC1CCC(C(=O)NCc2cnc[nH]2)O1
InChIInChI=1S/C10H15N3O2/c1-7-2-3-9(15-7)10(14)12-5-8-4-11-6-13-8/h4,6-7,9H,2-3,5H2,1H3,(H,11,13)(H,12,14)
InChIKeySHKQKQOBOMJAPF-UHFFFAOYSA-N
XLogP0.59
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-N-(1H-imidazol-5-ylmethyl)oxolane-2-carboxamide
CID 103850292
(1S,6R)-6-(1H-imidazol-5-ylmethylcarbamoyl)cyclohex-3-ene-1-carboxylic acid
CID 104962516
N-(1H-imidazol-5-ylmethyl)tricyclo[3.2.1.02,4]octane-3-carboxamide
CID 103761880
5-methyl-N-(1H-pyrrol-3-ylmethyl)oxolane-2-carboxamide
CID 106385224
1,1-diethyl-3-(1H-imidazol-5-ylmethyl)urea
CID 79161079
(2S,5R)-N-[[1-(4-fluorophenyl)pyrazol-3-yl]methyl]-5-methyloxolane-2-carboxamide
CID 97330409
N-(1H-imidazol-5-ylmethyl)but-2-enamide
CID 77075616
2-[4-[[(2R,5R)-5-methyloxolane-2-carbonyl]amino]pyrazol-1-yl]acetic acid
CID 138002028
N-[2-(1H-imidazol-5-yl)ethyl]-5-methyloxolane-3-carboxamide
CID 114826330
3-(1H-imidazol-5-ylmethylamino)-2,2-dimethyl-3-oxopropanoic acid
CID 82821309
2-(azetidin-3-ylidene)-N-(1H-imidazol-5-ylmethyl)propanamide
CID 116678252
5-methyl-N-(3-methyl-2-oxobutyl)oxolane-2-carboxamide
CID 81330974

Frequently Asked Questions

What is the IUPAC name of N-(1H-imidazol-5-ylmethyl)-5-methyloxolane-2-carboxamide?
The IUPAC name of N-(1H-imidazol-5-ylmethyl)-5-methyloxolane-2-carboxamide (CID 81002876) is N-(1H-imidazol-5-ylmethyl)-5-methyloxolane-2-carboxamide.
What is the SMILES notation for N-(1H-imidazol-5-ylmethyl)-5-methyloxolane-2-carboxamide?
The canonical SMILES for N-(1H-imidazol-5-ylmethyl)-5-methyloxolane-2-carboxamide is CC1CCC(C(=O)NCc2cnc[nH]2)O1.
What is the InChIKey of N-(1H-imidazol-5-ylmethyl)-5-methyloxolane-2-carboxamide?
The InChIKey is SHKQKQOBOMJAPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O2/c1-7-2-3-9(15-7)10(14)12-5-8-4-11-6-13-8/h4,6-7,9H,2-3,5H2,1H3,(H,11,13)(H,12,14).
What are the key properties of N-(1H-imidazol-5-ylmethyl)-5-methyloxolane-2-carboxamide?
N-(1H-imidazol-5-ylmethyl)-5-methyloxolane-2-carboxamide has a molecular weight of 209.25 g/mol, XLogP of 0.59, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-imidazol-5-ylmethyl)-5-methyloxolane-2-carboxamide is sourced from PubChem (CID 81002876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).