(4,5-dibenzyl-1,2-oxazol-3-yl)methanol

C18H17NO2 — CID 57221647

IUPAC(4,5-dibenzyl-1,2-oxazol-3-yl)methanol
SMILESOCc1noc(Cc2ccccc2)c1Cc1ccccc1
InChIInChI=1S/C18H17NO2/c20-13-17-16(11-14-7-3-1-4-8-14)18(21-19-17)12-15-9-5-2-6-10-15/h1-10,20H,11-13H2
InChIKeyWWSYGZFQUDKHCF-UHFFFAOYSA-N
MW279.34 g/mol
LogP3.35
Rot. Bonds5

About (4,5-dibenzyl-1,2-oxazol-3-yl)methanol

(4,5-dibenzyl-1,2-oxazol-3-yl)methanol (PubChem CID 57221647) has the molecular formula C18H17NO2 and a molecular weight of 279.34 g/mol. Its IUPAC name is (4,5-dibenzyl-1,2-oxazol-3-yl)methanol.

Molecular Properties

Compound Name(4,5-dibenzyl-1,2-oxazol-3-yl)methanol
PubChem CID57221647
Molecular FormulaC18H17NO2
Molecular Weight279.34 g/mol
Exact Mass279.13
IUPAC Name(4,5-dibenzyl-1,2-oxazol-3-yl)methanol
SMILESOCc1noc(Cc2ccccc2)c1Cc1ccccc1
InChIInChI=1S/C18H17NO2/c20-13-17-16(11-14-7-3-1-4-8-14)18(21-19-17)12-15-9-5-2-6-10-15/h1-10,20H,11-13H2
InChIKeyWWSYGZFQUDKHCF-UHFFFAOYSA-N
XLogP3.35
TPSA46.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-5-benzyl-1,2-oxazole-4-carboxamide
CID 110171439
4-benzyl-3-methyl-5-phenyl-1,2-oxazole
CID 14978502
azanium;phenylmethanol;hydroxide
CID 70634097
phenyl(113C)methylbenzene
CID 11194569
methyl 5-benzyl-1,2-oxazole-4-carboxylate
CID 14787243
5-benzyl-1,2-oxazole
CID 21193134
phenylmethanol;tungsten
CID 166544439
phenylmethanol;hydrate
CID 68812705
phenylmethanol;zirconium
CID 18688174
3-benzyl-N-methoxy-N,4-dimethyl-1,2-oxazole-5-carboxamide
CID 139467450
2-benzylfuran-3-ol
CID 54288661
[5-benzyl-1-(3-phenylpropyl)triazol-4-yl]methanol
CID 94944856

Frequently Asked Questions

What is the IUPAC name of (4,5-dibenzyl-1,2-oxazol-3-yl)methanol?
The IUPAC name of (4,5-dibenzyl-1,2-oxazol-3-yl)methanol (CID 57221647) is (4,5-dibenzyl-1,2-oxazol-3-yl)methanol.
What is the SMILES notation for (4,5-dibenzyl-1,2-oxazol-3-yl)methanol?
The canonical SMILES for (4,5-dibenzyl-1,2-oxazol-3-yl)methanol is OCc1noc(Cc2ccccc2)c1Cc1ccccc1.
What is the InChIKey of (4,5-dibenzyl-1,2-oxazol-3-yl)methanol?
The InChIKey is WWSYGZFQUDKHCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO2/c20-13-17-16(11-14-7-3-1-4-8-14)18(21-19-17)12-15-9-5-2-6-10-15/h1-10,20H,11-13H2.
What are the key properties of (4,5-dibenzyl-1,2-oxazol-3-yl)methanol?
(4,5-dibenzyl-1,2-oxazol-3-yl)methanol has a molecular weight of 279.34 g/mol, XLogP of 3.35, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4,5-dibenzyl-1,2-oxazol-3-yl)methanol is sourced from PubChem (CID 57221647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).