(2R)-N-(1H-imidazol-5-ylmethyl)oxolane-2-carboxamide

C9H13N3O2 — CID 103850292

IUPAC(2R)-N-(1H-imidazol-5-ylmethyl)oxolane-2-carboxamide
SMILESO=C(NCc1cnc[nH]1)[C@H]1CCCO1
InChIInChI=1S/C9H13N3O2/c13-9(8-2-1-3-14-8)11-5-7-4-10-6-12-7/h4,6,8H,1-3,5H2,(H,10,12)(H,11,13)/t8-/m1/s1
InChIKeySARSADTTYBJOFJ-MRVPVSSYSA-N
MW195.22 g/mol
LogP0.20
Rot. Bonds3

About (2R)-N-(1H-imidazol-5-ylmethyl)oxolane-2-carboxamide

(2R)-N-(1H-imidazol-5-ylmethyl)oxolane-2-carboxamide (PubChem CID 103850292) has the molecular formula C9H13N3O2 and a molecular weight of 195.22 g/mol. Its IUPAC name is (2R)-N-(1H-imidazol-5-ylmethyl)oxolane-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-(1H-imidazol-5-ylmethyl)oxolane-2-carboxamide
PubChem CID103850292
Molecular FormulaC9H13N3O2
Molecular Weight195.22 g/mol
Exact Mass195.10
IUPAC Name(2R)-N-(1H-imidazol-5-ylmethyl)oxolane-2-carboxamide
SMILESO=C(NCc1cnc[nH]1)[C@H]1CCCO1
InChIInChI=1S/C9H13N3O2/c13-9(8-2-1-3-14-8)11-5-7-4-10-6-12-7/h4,6,8H,1-3,5H2,(H,10,12)(H,11,13)/t8-/m1/s1
InChIKeySARSADTTYBJOFJ-MRVPVSSYSA-N
XLogP0.20
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.22
LogP ≤ 50.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1H-imidazol-5-ylmethyl)-5-methyloxolane-2-carboxamide
CID 81002876
(2S)-N-(1H-imidazol-5-yl)oxolane-2-carboxamide
CID 130701743
N-(1H-pyrazol-5-ylmethyl)oxolane-2-carboxamide
CID 60977507
(2S)-N-(1H-pyrazol-5-ylmethyl)oxolane-2-carboxamide
CID 103872510
(2R)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]oxolane-2-carboxamide
CID 103849971
N-(1H-imidazol-5-ylmethyl)tricyclo[3.2.1.02,4]octane-3-carboxamide
CID 103761880
(2S)-N-[(4-bromothiophen-2-yl)methyl]oxolane-2-carboxamide
CID 103872325
N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]oxane-2-carboxamide
CID 118782143
N-[(4-ethylphenyl)methyl]oxolane-2-carboxamide
CID 110779522
(2R)-N-[[3-(2-methylpropyl)imidazol-4-yl]methyl]oxolane-2-carboxamide
CID 29214742
(2R)-N-[(5-amino-1-methylpyrazol-4-yl)methyl]oxolane-2-carboxamide
CID 104856388
N-(1H-imidazol-5-ylmethyl)pyrimidine-5-carboxamide
CID 104628648

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(1H-imidazol-5-ylmethyl)oxolane-2-carboxamide?
The IUPAC name of (2R)-N-(1H-imidazol-5-ylmethyl)oxolane-2-carboxamide (CID 103850292) is (2R)-N-(1H-imidazol-5-ylmethyl)oxolane-2-carboxamide.
What is the SMILES notation for (2R)-N-(1H-imidazol-5-ylmethyl)oxolane-2-carboxamide?
The canonical SMILES for (2R)-N-(1H-imidazol-5-ylmethyl)oxolane-2-carboxamide is O=C(NCc1cnc[nH]1)[C@H]1CCCO1.
What is the InChIKey of (2R)-N-(1H-imidazol-5-ylmethyl)oxolane-2-carboxamide?
The InChIKey is SARSADTTYBJOFJ-MRVPVSSYSA-N. The full InChI is InChI=1S/C9H13N3O2/c13-9(8-2-1-3-14-8)11-5-7-4-10-6-12-7/h4,6,8H,1-3,5H2,(H,10,12)(H,11,13)/t8-/m1/s1.
What are the key properties of (2R)-N-(1H-imidazol-5-ylmethyl)oxolane-2-carboxamide?
(2R)-N-(1H-imidazol-5-ylmethyl)oxolane-2-carboxamide has a molecular weight of 195.22 g/mol, XLogP of 0.20, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(1H-imidazol-5-ylmethyl)oxolane-2-carboxamide is sourced from PubChem (CID 103850292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).