(2S)-N-(1H-imidazol-5-yl)oxolane-2-carboxamide

C8H11N3O2 — CID 130701743

IUPAC(2S)-N-(1H-imidazol-5-yl)oxolane-2-carboxamide
SMILESO=C(Nc1cnc[nH]1)[C@@H]1CCCO1
InChIInChI=1S/C8H11N3O2/c12-8(6-2-1-3-13-6)11-7-4-9-5-10-7/h4-6H,1-3H2,(H,9,10)(H,11,12)/t6-/m0/s1
InChIKeyNZXDQMRXCRBJLQ-LURJTMIESA-N
MW181.19 g/mol
LogP0.53
Rot. Bonds2

About (2S)-N-(1H-imidazol-5-yl)oxolane-2-carboxamide

(2S)-N-(1H-imidazol-5-yl)oxolane-2-carboxamide (PubChem CID 130701743) has the molecular formula C8H11N3O2 and a molecular weight of 181.19 g/mol. Its IUPAC name is (2S)-N-(1H-imidazol-5-yl)oxolane-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-(1H-imidazol-5-yl)oxolane-2-carboxamide
PubChem CID130701743
Molecular FormulaC8H11N3O2
Molecular Weight181.19 g/mol
Exact Mass181.09
IUPAC Name(2S)-N-(1H-imidazol-5-yl)oxolane-2-carboxamide
SMILESO=C(Nc1cnc[nH]1)[C@@H]1CCCO1
InChIInChI=1S/C8H11N3O2/c12-8(6-2-1-3-13-6)11-7-4-9-5-10-7/h4-6H,1-3H2,(H,9,10)(H,11,12)/t6-/m0/s1
InChIKeyNZXDQMRXCRBJLQ-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

(2R)-N-(1H-imidazol-5-ylmethyl)oxolane-2-carboxamide
CID 103850292
(2S)-N-(1H-imidazol-2-yl)oxolane-2-carboxamide
CID 103872487
(2R)-N-(4-bromo-1H-pyrazol-5-yl)oxolane-2-carboxamide
CID 126982245
N-(2-chloro-5-methyl-3-pyridinyl)oxolane-2-carboxamide
CID 102979589
(2R)-N-(1,2-oxazol-4-yl)oxolane-2-carboxamide
CID 130616436
(2R)-N-(4-ethyl-1H-pyrazol-5-yl)oxolane-2-carboxamide
CID 103852363
N-phenyloxolane-2-carboxamide
CID 3453643
N-(1-tert-butylpyrazol-4-yl)oxolane-2-carboxamide
CID 47463711
N-(5-methyl-1,3-thiazol-2-yl)oxolane-2-carboxamide
CID 2971267
5-[[(2S)-oxolane-2-carbonyl]amino]thiophene-2-carboxylic acid
CID 93058485
(2R)-N-[2-(4-chlorophenyl)pyrimidin-5-yl]oxolane-2-carboxamide
CID 95100497
(2S)-N-[3-[[(2S)-oxolane-2-carbonyl]amino]phenyl]oxolane-2-carboxamide
CID 7027817

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(1H-imidazol-5-yl)oxolane-2-carboxamide?
The IUPAC name of (2S)-N-(1H-imidazol-5-yl)oxolane-2-carboxamide (CID 130701743) is (2S)-N-(1H-imidazol-5-yl)oxolane-2-carboxamide.
What is the SMILES notation for (2S)-N-(1H-imidazol-5-yl)oxolane-2-carboxamide?
The canonical SMILES for (2S)-N-(1H-imidazol-5-yl)oxolane-2-carboxamide is O=C(Nc1cnc[nH]1)[C@@H]1CCCO1.
What is the InChIKey of (2S)-N-(1H-imidazol-5-yl)oxolane-2-carboxamide?
The InChIKey is NZXDQMRXCRBJLQ-LURJTMIESA-N. The full InChI is InChI=1S/C8H11N3O2/c12-8(6-2-1-3-13-6)11-7-4-9-5-10-7/h4-6H,1-3H2,(H,9,10)(H,11,12)/t6-/m0/s1.
What are the key properties of (2S)-N-(1H-imidazol-5-yl)oxolane-2-carboxamide?
(2S)-N-(1H-imidazol-5-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-5-yl)oxolane-2-carboxamide is sourced from PubChem (CID 130701743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).