N-[[(2R)-oxolan-2-yl]methyl]-1-phenylimidazole-4-carboxamide

C15H17N3O2 — CID 100816447

IUPACN-[[(2R)-oxolan-2-yl]methyl]-1-phenylimidazole-4-carboxamide
SMILESO=C(NC[C@H]1CCCO1)c1cn(-c2ccccc2)cn1
InChIInChI=1S/C15H17N3O2/c19-15(16-9-13-7-4-8-20-13)14-10-18(11-17-14)12-5-2-1-3-6-12/h1-3,5-6,10-11,13H,4,7-9H2,(H,16,19)/t13-/m1/s1
InChIKeyUMOBTSNTIDELAR-CYBMUJFWSA-N
MW271.32 g/mol
LogP1.78
Rot. Bonds4

About N-[[(2R)-oxolan-2-yl]methyl]-1-phenylimidazole-4-carboxamide

N-[[(2R)-oxolan-2-yl]methyl]-1-phenylimidazole-4-carboxamide (PubChem CID 100816447) has the molecular formula C15H17N3O2 and a molecular weight of 271.32 g/mol. Its IUPAC name is N-[[(2R)-oxolan-2-yl]methyl]-1-phenylimidazole-4-carboxamide.

Molecular Properties

Compound NameN-[[(2R)-oxolan-2-yl]methyl]-1-phenylimidazole-4-carboxamide
PubChem CID100816447
Molecular FormulaC15H17N3O2
Molecular Weight271.32 g/mol
Exact Mass271.13
IUPAC NameN-[[(2R)-oxolan-2-yl]methyl]-1-phenylimidazole-4-carboxamide
SMILESO=C(NC[C@H]1CCCO1)c1cn(-c2ccccc2)cn1
InChIInChI=1S/C15H17N3O2/c19-15(16-9-13-7-4-8-20-13)14-10-18(11-17-14)12-5-2-1-3-6-12/h1-3,5-6,10-11,13H,4,7-9H2,(H,16,19)/t13-/m1/s1
InChIKeyUMOBTSNTIDELAR-CYBMUJFWSA-N
XLogP1.78
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(6-methyl-2-pyridinyl)-N-[[(2S)-oxolan-2-yl]methyl]imidazole-4-carboxamide
CID 1491434
6-oxo-N-[[(2S)-oxolan-2-yl]methyl]-1-phenylpyridazine-3-carboxamide
CID 31883567
1-(5-acetamido-2-pyridinyl)-N-[[(2S)-oxolan-2-yl]methyl]imidazole-4-carboxamide
CID 95099061
1-(6-morpholin-4-ylpyrimidin-4-yl)-N-[[(2S)-oxolan-2-yl]methyl]imidazole-4-carboxamide
CID 95102243
2-N,6-N-bis(oxolan-2-ylmethyl)pyridine-2,6-dicarboxamide
CID 4668561
N-(oxolan-2-ylmethyl)-5-phenylpyridine-2-carboxamide
CID 110683568
N-[[(2R)-oxolan-2-yl]methyl]-4-pyrrol-1-ylbenzamide
CID 25343764
N-(oxolan-2-ylmethyl)-2-(4-phenylpiperazin-1-yl)pyrimidine-5-carboxamide
CID 109252363
N-[[(2S)-oxolan-2-yl]methyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 1093732
N-[[(2S)-oxolan-2-yl]methyl]imidazo[1,2-a]pyridine-2-carboxamide
CID 94184886
N-(oxolan-2-ylmethyl)-6-phenylpyridazine-3-carboxamide
CID 113200525
6-oxo-N-(oxolan-2-ylmethyl)-1-phenyl-4,5-dihydropyridazine-3-carboxamide
CID 23474466

Frequently Asked Questions

What is the IUPAC name of N-[[(2R)-oxolan-2-yl]methyl]-1-phenylimidazole-4-carboxamide?
The IUPAC name of N-[[(2R)-oxolan-2-yl]methyl]-1-phenylimidazole-4-carboxamide (CID 100816447) is N-[[(2R)-oxolan-2-yl]methyl]-1-phenylimidazole-4-carboxamide.
What is the SMILES notation for N-[[(2R)-oxolan-2-yl]methyl]-1-phenylimidazole-4-carboxamide?
The canonical SMILES for N-[[(2R)-oxolan-2-yl]methyl]-1-phenylimidazole-4-carboxamide is O=C(NC[C@H]1CCCO1)c1cn(-c2ccccc2)cn1.
What is the InChIKey of N-[[(2R)-oxolan-2-yl]methyl]-1-phenylimidazole-4-carboxamide?
The InChIKey is UMOBTSNTIDELAR-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H17N3O2/c19-15(16-9-13-7-4-8-20-13)14-10-18(11-17-14)12-5-2-1-3-6-12/h1-3,5-6,10-11,13H,4,7-9H2,(H,16,19)/t13-/m1/s1.
What are the key properties of N-[[(2R)-oxolan-2-yl]methyl]-1-phenylimidazole-4-carboxamide?
N-[[(2R)-oxolan-2-yl]methyl]-1-phenylimidazole-4-carboxamide has a molecular weight of 271.32 g/mol, XLogP of 1.78, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2R)-oxolan-2-yl]methyl]-1-phenylimidazole-4-carboxamide is sourced from PubChem (CID 100816447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).