[2-[4-(benzimidazol-1-ylmethyl)phenyl]-1,3-oxazol-4-yl]methanol;ethane

C20H21N3O2 — CID 143747897

IUPAC[2-[4-(benzimidazol-1-ylmethyl)phenyl]-1,3-oxazol-4-yl]methanol;ethane
SMILESCC.OCc1coc(-c2ccc(Cn3cnc4ccccc43)cc2)n1
InChIInChI=1S/C18H15N3O2.C2H6/c22-10-15-11-23-18(20-15)14-7-5-13(6-8-14)9-21-12-19-16-3-1-2-4-17(16)21;1-2/h1-8,11-12,22H,9-10H2;1-2H3
InChIKeyMLSKUTVUVASCOC-UHFFFAOYSA-N
MW335.41 g/mol
LogP4.26
Rot. Bonds4

About [2-[4-(benzimidazol-1-ylmethyl)phenyl]-1,3-oxazol-4-yl]methanol;ethane

[2-[4-(benzimidazol-1-ylmethyl)phenyl]-1,3-oxazol-4-yl]methanol;ethane (PubChem CID 143747897) has the molecular formula C20H21N3O2 and a molecular weight of 335.41 g/mol. Its IUPAC name is [2-[4-(benzimidazol-1-ylmethyl)phenyl]-1,3-oxazol-4-yl]methanol;ethane.

Molecular Properties

Compound Name[2-[4-(benzimidazol-1-ylmethyl)phenyl]-1,3-oxazol-4-yl]methanol;ethane
PubChem CID143747897
Molecular FormulaC20H21N3O2
Molecular Weight335.41 g/mol
Exact Mass335.16
IUPAC Name[2-[4-(benzimidazol-1-ylmethyl)phenyl]-1,3-oxazol-4-yl]methanol;ethane
SMILESCC.OCc1coc(-c2ccc(Cn3cnc4ccccc43)cc2)n1
InChIInChI=1S/C18H15N3O2.C2H6/c22-10-15-11-23-18(20-15)14-7-5-13(6-8-14)9-21-12-19-16-3-1-2-4-17(16)21;1-2/h1-8,11-12,22H,9-10H2;1-2H3
InChIKeyMLSKUTVUVASCOC-UHFFFAOYSA-N
XLogP4.26
TPSA64.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(E)-2-[4-(3-imidazol-1-ylpropoxy)phenyl]ethenyl]-1,3-benzoxazole;hydrate;hydrochloride
CID 49860296
2-[(E)-2-[4-(5-imidazol-1-ylpentoxy)phenyl]ethenyl]-1,3-benzoxazole;hydrate;hydrochloride
CID 49860302
2-[(E)-2-[4-(4-imidazol-1-ylbutoxy)phenyl]ethenyl]-1,3-benzoxazole;hydrate;hydrochloride
CID 49860333
6-amino-2-butoxy-9-[[4-[4-(hydroxymethyl)-1,3-oxazol-2-yl]phenyl]methyl]-7H-purin-8-one
CID 137510714
2-(Benzimidazol-1-ylmethyl)-5-(2-methoxyphenyl)-1,3,4-oxadiazole
CID 44244922
1-{[2-(2-fluoro-5-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl}-1H-benzimidazole
CID 56756915
methyl (2S)-2-[[2-[2,6-difluoro-4-[4-(2-hydroxypropan-2-yl)-1,3-oxazol-2-yl]phenyl]-7-methylimidazo[1,2-a]pyridin-3-yl]methyl]morpholine-4-carboxylate
CID 154965105
3-Benzyl-7-(2-methylpropyl)-1-[(2-phenyl-1,3-oxazol-4-yl)methyl]purine-2,6-dione
CID 4786626
2-(1H-benzimidazol-1-ylmethyl)-N-(3-hydroxy-3-phenylpropyl)-N-methyl-1,3-oxazole-4-carboxamide
CID 45178570
methyl (2S)-({[2-(1H-benzimidazol-1-ylmethyl)-1,3-oxazol-4-yl]carbonyl}amino)(phenyl)acetate
CID 25289797
2-(3-Fluorobenzoyl)-1-[(5-methyl-2-phenyl-1,3-oxazol-4-YL)methyl]-1H-1,3-benzodiazole
CID 46289006
5-(4-fluorophenyl)-N-[(1-methylbenzimidazol-2-yl)methyl]-1,3-oxazole-4-carboxamide
CID 46959424

Frequently Asked Questions

What is the IUPAC name of [2-[4-(benzimidazol-1-ylmethyl)phenyl]-1,3-oxazol-4-yl]methanol;ethane?
The IUPAC name of [2-[4-(benzimidazol-1-ylmethyl)phenyl]-1,3-oxazol-4-yl]methanol;ethane (CID 143747897) is [2-[4-(benzimidazol-1-ylmethyl)phenyl]-1,3-oxazol-4-yl]methanol;ethane.
What is the SMILES notation for [2-[4-(benzimidazol-1-ylmethyl)phenyl]-1,3-oxazol-4-yl]methanol;ethane?
The canonical SMILES for [2-[4-(benzimidazol-1-ylmethyl)phenyl]-1,3-oxazol-4-yl]methanol;ethane is CC.OCc1coc(-c2ccc(Cn3cnc4ccccc43)cc2)n1.
What is the InChIKey of [2-[4-(benzimidazol-1-ylmethyl)phenyl]-1,3-oxazol-4-yl]methanol;ethane?
The InChIKey is MLSKUTVUVASCOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3O2.C2H6/c22-10-15-11-23-18(20-15)14-7-5-13(6-8-14)9-21-12-19-16-3-1-2-4-17(16)21;1-2/h1-8,11-12,22H,9-10H2;1-2H3.
What are the key properties of [2-[4-(benzimidazol-1-ylmethyl)phenyl]-1,3-oxazol-4-yl]methanol;ethane?
[2-[4-(benzimidazol-1-ylmethyl)phenyl]-1,3-oxazol-4-yl]methanol;ethane has a molecular weight of 335.41 g/mol, XLogP of 4.26, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[4-(benzimidazol-1-ylmethyl)phenyl]-1,3-oxazol-4-yl]methanol;ethane is sourced from PubChem (CID 143747897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).