[3-[(3-chlorophenyl)methyl]-5-(hydroxymethyl)-4H-1,2-oxazol-5-yl]methanol

C12H14ClNO3 — CID 86158770

IUPAC[3-[(3-chlorophenyl)methyl]-5-(hydroxymethyl)-4H-1,2-oxazol-5-yl]methanol
SMILESOCC1(CO)CC(Cc2cccc(Cl)c2)=NO1
InChIInChI=1S/C12H14ClNO3/c13-10-3-1-2-9(4-10)5-11-6-12(7-15,8-16)17-14-11/h1-4,15-16H,5-8H2
InChIKeyYCGKKPPXGLUFFD-UHFFFAOYSA-N
MW255.70 g/mol
LogP1.38
Rot. Bonds4

About [3-[(3-chlorophenyl)methyl]-5-(hydroxymethyl)-4H-1,2-oxazol-5-yl]methanol

[3-[(3-chlorophenyl)methyl]-5-(hydroxymethyl)-4H-1,2-oxazol-5-yl]methanol (PubChem CID 86158770) has the molecular formula C12H14ClNO3 and a molecular weight of 255.70 g/mol. Its IUPAC name is [3-[(3-chlorophenyl)methyl]-5-(hydroxymethyl)-4H-1,2-oxazol-5-yl]methanol.

Molecular Properties

Compound Name[3-[(3-chlorophenyl)methyl]-5-(hydroxymethyl)-4H-1,2-oxazol-5-yl]methanol
PubChem CID86158770
Molecular FormulaC12H14ClNO3
Molecular Weight255.70 g/mol
Exact Mass255.07
IUPAC Name[3-[(3-chlorophenyl)methyl]-5-(hydroxymethyl)-4H-1,2-oxazol-5-yl]methanol
SMILESOCC1(CO)CC(Cc2cccc(Cl)c2)=NO1
InChIInChI=1S/C12H14ClNO3/c13-10-3-1-2-9(4-10)5-11-6-12(7-15,8-16)17-14-11/h1-4,15-16H,5-8H2
InChIKeyYCGKKPPXGLUFFD-UHFFFAOYSA-N
XLogP1.38
TPSA62.05 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.70
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [3-[(3-chlorophenyl)methyl]-5-(hydroxymethyl)-4H-1,2-oxazol-5-yl]methanol?
The IUPAC name of [3-[(3-chlorophenyl)methyl]-5-(hydroxymethyl)-4H-1,2-oxazol-5-yl]methanol (CID 86158770) is [3-[(3-chlorophenyl)methyl]-5-(hydroxymethyl)-4H-1,2-oxazol-5-yl]methanol.
What is the SMILES notation for [3-[(3-chlorophenyl)methyl]-5-(hydroxymethyl)-4H-1,2-oxazol-5-yl]methanol?
The canonical SMILES for [3-[(3-chlorophenyl)methyl]-5-(hydroxymethyl)-4H-1,2-oxazol-5-yl]methanol is OCC1(CO)CC(Cc2cccc(Cl)c2)=NO1.
What is the InChIKey of [3-[(3-chlorophenyl)methyl]-5-(hydroxymethyl)-4H-1,2-oxazol-5-yl]methanol?
The InChIKey is YCGKKPPXGLUFFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClNO3/c13-10-3-1-2-9(4-10)5-11-6-12(7-15,8-16)17-14-11/h1-4,15-16H,5-8H2.
What are the key properties of [3-[(3-chlorophenyl)methyl]-5-(hydroxymethyl)-4H-1,2-oxazol-5-yl]methanol?
[3-[(3-chlorophenyl)methyl]-5-(hydroxymethyl)-4H-1,2-oxazol-5-yl]methanol has a molecular weight of 255.70 g/mol, XLogP of 1.38, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(3-chlorophenyl)methyl]-5-(hydroxymethyl)-4H-1,2-oxazol-5-yl]methanol is sourced from PubChem (CID 86158770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).