N-(1H-imidazol-2-ylmethyl)-5-methyloxolane-3-carboxamide

C10H15N3O2 — CID 114826329

IUPACN-(1H-imidazol-2-ylmethyl)-5-methyloxolane-3-carboxamide
SMILESCC1CC(C(=O)NCc2ncc[nH]2)CO1
InChIInChI=1S/C10H15N3O2/c1-7-4-8(6-15-7)10(14)13-5-9-11-2-3-12-9/h2-3,7-8H,4-6H2,1H3,(H,11,12)(H,13,14)
InChIKeyYMGNKECIXGORCA-UHFFFAOYSA-N
MW209.25 g/mol
LogP0.45
Rot. Bonds3

About N-(1H-imidazol-2-ylmethyl)-5-methyloxolane-3-carboxamide

N-(1H-imidazol-2-ylmethyl)-5-methyloxolane-3-carboxamide (PubChem CID 114826329) has the molecular formula C10H15N3O2 and a molecular weight of 209.25 g/mol. Its IUPAC name is N-(1H-imidazol-2-ylmethyl)-5-methyloxolane-3-carboxamide.

Molecular Properties

Compound NameN-(1H-imidazol-2-ylmethyl)-5-methyloxolane-3-carboxamide
PubChem CID114826329
Molecular FormulaC10H15N3O2
Molecular Weight209.25 g/mol
Exact Mass209.12
IUPAC NameN-(1H-imidazol-2-ylmethyl)-5-methyloxolane-3-carboxamide
SMILESCC1CC(C(=O)NCc2ncc[nH]2)CO1
InChIInChI=1S/C10H15N3O2/c1-7-4-8(6-15-7)10(14)13-5-9-11-2-3-12-9/h2-3,7-8H,4-6H2,1H3,(H,11,12)(H,13,14)
InChIKeyYMGNKECIXGORCA-UHFFFAOYSA-N
XLogP0.45
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 ≤ 50.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-(1H-imidazol-2-ylmethyl)-5-methyloxolane-3-carboxamide?
The IUPAC name of N-(1H-imidazol-2-ylmethyl)-5-methyloxolane-3-carboxamide (CID 114826329) is N-(1H-imidazol-2-ylmethyl)-5-methyloxolane-3-carboxamide.
What is the SMILES notation for N-(1H-imidazol-2-ylmethyl)-5-methyloxolane-3-carboxamide?
The canonical SMILES for N-(1H-imidazol-2-ylmethyl)-5-methyloxolane-3-carboxamide is CC1CC(C(=O)NCc2ncc[nH]2)CO1.
What is the InChIKey of N-(1H-imidazol-2-ylmethyl)-5-methyloxolane-3-carboxamide?
The InChIKey is YMGNKECIXGORCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O2/c1-7-4-8(6-15-7)10(14)13-5-9-11-2-3-12-9/h2-3,7-8H,4-6H2,1H3,(H,11,12)(H,13,14).
What are the key properties of N-(1H-imidazol-2-ylmethyl)-5-methyloxolane-3-carboxamide?
N-(1H-imidazol-2-ylmethyl)-5-methyloxolane-3-carboxamide has a molecular weight of 209.25 g/mol, XLogP of 0.45, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-imidazol-2-ylmethyl)-5-methyloxolane-3-carboxamide is sourced from PubChem (CID 114826329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).