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

C8H11N3O2 — CID 103872487

IUPAC(2S)-N-(1H-imidazol-2-yl)oxolane-2-carboxamide
SMILESO=C(Nc1ncc[nH]1)[C@@H]1CCCO1
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)/t6-/m0/s1
InChIKeyAUMBXNAUKAWABR-LURJTMIESA-N
MW181.19 g/mol
LogP0.53
Rot. Bonds2

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

(2S)-N-(1H-imidazol-2-yl)oxolane-2-carboxamide (PubChem CID 103872487) has the molecular formula C8H11N3O2 and a molecular weight of 181.19 g/mol. Its IUPAC name is (2S)-N-(1H-imidazol-2-yl)oxolane-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-(1H-imidazol-2-yl)oxolane-2-carboxamide
PubChem CID103872487
Molecular FormulaC8H11N3O2
Molecular Weight181.19 g/mol
Exact Mass181.09
IUPAC Name(2S)-N-(1H-imidazol-2-yl)oxolane-2-carboxamide
SMILESO=C(Nc1ncc[nH]1)[C@@H]1CCCO1
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)/t6-/m0/s1
InChIKeyAUMBXNAUKAWABR-LURJTMIESA-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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Related Compounds

N-(1H-imidazol-2-yl)morpholine-2-carboxamide
CID 63562794
N-(1H-imidazol-2-yl)oxane-4-carboxamide
CID 60967951
(2S)-N-(1H-imidazol-5-yl)oxolane-2-carboxamide
CID 130701743
N-[2-(1H-imidazol-2-yl)ethyl]oxane-2-carboxamide
CID 115747744
3-[[(2R)-oxolane-2-carbonyl]amino]pyrazine-2-carboxylic acid
CID 104855685
N-[4-(5-methyl-1H-imidazol-4-yl)phenyl]oxolane-2-carboxamide
CID 110735670
N-(2-chloro-3-pyridinyl)oxolane-2-carboxamide
CID 4166852
3-[[(2S)-oxolane-2-carbonyl]amino]-1H-pyrazole-5-carboxylic acid
CID 104855741
(2R)-N-(2-chloro-4-pyridinyl)oxolane-2-carboxamide
CID 129370669
N-phenyloxolane-2-carboxamide
CID 3453643
(2S)-N-(5-propan-2-yl-1H-pyrazol-3-yl)oxolane-2-carboxamide
CID 103872756
(2S)-N-cyclopentyloxolane-2-carboxamide
CID 7368997

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(1H-imidazol-2-yl)oxolane-2-carboxamide?
The IUPAC name of (2S)-N-(1H-imidazol-2-yl)oxolane-2-carboxamide (CID 103872487) is (2S)-N-(1H-imidazol-2-yl)oxolane-2-carboxamide.
What is the SMILES notation for (2S)-N-(1H-imidazol-2-yl)oxolane-2-carboxamide?
The canonical SMILES for (2S)-N-(1H-imidazol-2-yl)oxolane-2-carboxamide is O=C(Nc1ncc[nH]1)[C@@H]1CCCO1.
What is the InChIKey of (2S)-N-(1H-imidazol-2-yl)oxolane-2-carboxamide?
The InChIKey is AUMBXNAUKAWABR-LURJTMIESA-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)/t6-/m0/s1.
What are the key properties of (2S)-N-(1H-imidazol-2-yl)oxolane-2-carboxamide?
(2S)-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 (2S)-N-(1H-imidazol-2-yl)oxolane-2-carboxamide is sourced from PubChem (CID 103872487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).