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

C10H15N3O2 — CID 63929109

IUPACN-(1H-imidazol-2-ylmethyl)-N-methyloxolane-3-carboxamide
SMILESCN(Cc1ncc[nH]1)C(=O)C1CCOC1
InChIInChI=1S/C10H15N3O2/c1-13(6-9-11-3-4-12-9)10(14)8-2-5-15-7-8/h3-4,8H,2,5-7H2,1H3,(H,11,12)
InChIKeyMLDSYZQJPCMLLG-UHFFFAOYSA-N
MW209.25 g/mol
LogP0.40
Rot. Bonds3

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

N-(1H-imidazol-2-ylmethyl)-N-methyloxolane-3-carboxamide (PubChem CID 63929109) has the molecular formula C10H15N3O2 and a molecular weight of 209.25 g/mol. Its IUPAC name is N-(1H-imidazol-2-ylmethyl)-N-methyloxolane-3-carboxamide.

Molecular Properties

Compound NameN-(1H-imidazol-2-ylmethyl)-N-methyloxolane-3-carboxamide
PubChem CID63929109
Molecular FormulaC10H15N3O2
Molecular Weight209.25 g/mol
Exact Mass209.12
IUPAC NameN-(1H-imidazol-2-ylmethyl)-N-methyloxolane-3-carboxamide
SMILESCN(Cc1ncc[nH]1)C(=O)C1CCOC1
InChIInChI=1S/C10H15N3O2/c1-13(6-9-11-3-4-12-9)10(14)8-2-5-15-7-8/h3-4,8H,2,5-7H2,1H3,(H,11,12)
InChIKeyMLDSYZQJPCMLLG-UHFFFAOYSA-N
XLogP0.40
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 ≤ 50.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1H-imidazol-2-ylmethyl)-N-methyloxolane-3-carboxamide?
The IUPAC name of N-(1H-imidazol-2-ylmethyl)-N-methyloxolane-3-carboxamide (CID 63929109) is N-(1H-imidazol-2-ylmethyl)-N-methyloxolane-3-carboxamide.
What is the SMILES notation for N-(1H-imidazol-2-ylmethyl)-N-methyloxolane-3-carboxamide?
The canonical SMILES for N-(1H-imidazol-2-ylmethyl)-N-methyloxolane-3-carboxamide is CN(Cc1ncc[nH]1)C(=O)C1CCOC1.
What is the InChIKey of N-(1H-imidazol-2-ylmethyl)-N-methyloxolane-3-carboxamide?
The InChIKey is MLDSYZQJPCMLLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O2/c1-13(6-9-11-3-4-12-9)10(14)8-2-5-15-7-8/h3-4,8H,2,5-7H2,1H3,(H,11,12).
What are the key properties of N-(1H-imidazol-2-ylmethyl)-N-methyloxolane-3-carboxamide?
N-(1H-imidazol-2-ylmethyl)-N-methyloxolane-3-carboxamide has a molecular weight of 209.25 g/mol, XLogP of 0.40, 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-methyloxolane-3-carboxamide is sourced from PubChem (CID 63929109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).