N-(1H-imidazol-2-yl)oxolane-2-carboxamide

C8H11N3O2 — CID 60966777

IUPACN-(1H-imidazol-2-yl)oxolane-2-carboxamide
SMILESO=C(Nc1ncc[nH]1)C1CCCO1
InChIInChI=1S/C8H11N3O2/c12-7(6-2-1-5-13-6)11-8-9-3-4-10-8/h3-4,6H,1-2,5H2,(H2,9,10,11,12)
InChIKeyAUMBXNAUKAWABR-UHFFFAOYSA-N
MW181.19 g/mol
LogP0.53
Rot. Bonds2

About N-(1H-imidazol-2-yl)oxolane-2-carboxamide

N-(1H-imidazol-2-yl)oxolane-2-carboxamide (PubChem CID 60966777) has the molecular formula C8H11N3O2 and a molecular weight of 181.19 g/mol. Its IUPAC name is N-(1H-imidazol-2-yl)oxolane-2-carboxamide.

Molecular Properties

Compound NameN-(1H-imidazol-2-yl)oxolane-2-carboxamide
PubChem CID60966777
Molecular FormulaC8H11N3O2
Molecular Weight181.19 g/mol
Exact Mass181.09
IUPAC NameN-(1H-imidazol-2-yl)oxolane-2-carboxamide
SMILESO=C(Nc1ncc[nH]1)C1CCCO1
InChIInChI=1S/C8H11N3O2/c12-7(6-2-1-5-13-6)11-8-9-3-4-10-8/h3-4,6H,1-2,5H2,(H2,9,10,11,12)
InChIKeyAUMBXNAUKAWABR-UHFFFAOYSA-N
XLogP0.53
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.19
LogP ≤ 50.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1H-imidazol-2-yl)oxolane-2-carboxamide?
The IUPAC name of N-(1H-imidazol-2-yl)oxolane-2-carboxamide (CID 60966777) is N-(1H-imidazol-2-yl)oxolane-2-carboxamide.
What is the SMILES notation for N-(1H-imidazol-2-yl)oxolane-2-carboxamide?
The canonical SMILES for N-(1H-imidazol-2-yl)oxolane-2-carboxamide is O=C(Nc1ncc[nH]1)C1CCCO1.
What is the InChIKey of N-(1H-imidazol-2-yl)oxolane-2-carboxamide?
The InChIKey is AUMBXNAUKAWABR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O2/c12-7(6-2-1-5-13-6)11-8-9-3-4-10-8/h3-4,6H,1-2,5H2,(H2,9,10,11,12).
What are the key properties of N-(1H-imidazol-2-yl)oxolane-2-carboxamide?
N-(1H-imidazol-2-yl)oxolane-2-carboxamide has a molecular weight of 181.19 g/mol, XLogP of 0.53, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-imidazol-2-yl)oxolane-2-carboxamide is sourced from PubChem (CID 60966777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).