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

C15H15ClN2O3 — CID 121105782

IUPAC[3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-[3-(hydroxymethyl)azetidin-1-yl]methanone
SMILESCc1onc(-c2ccccc2Cl)c1C(=O)N1CC(CO)C1
InChIInChI=1S/C15H15ClN2O3/c1-9-13(15(20)18-6-10(7-18)8-19)14(17-21-9)11-4-2-3-5-12(11)16/h2-5,10,19H,6-8H2,1H3
InChIKeySSUQDVJEOVFGMT-UHFFFAOYSA-N
MW306.75 g/mol
LogP2.37
Rot. Bonds3

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

[3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-[3-(hydroxymethyl)azetidin-1-yl]methanone (PubChem CID 121105782) has the molecular formula C15H15ClN2O3 and a molecular weight of 306.75 g/mol. Its IUPAC name is [3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-[3-(hydroxymethyl)azetidin-1-yl]methanone.

Molecular Properties

Compound Name[3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-[3-(hydroxymethyl)azetidin-1-yl]methanone
PubChem CID121105782
Molecular FormulaC15H15ClN2O3
Molecular Weight306.75 g/mol
Exact Mass306.08
IUPAC Name[3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-[3-(hydroxymethyl)azetidin-1-yl]methanone
SMILESCc1onc(-c2ccccc2Cl)c1C(=O)N1CC(CO)C1
InChIInChI=1S/C15H15ClN2O3/c1-9-13(15(20)18-6-10(7-18)8-19)14(17-21-9)11-4-2-3-5-12(11)16/h2-5,10,19H,6-8H2,1H3
InChIKeySSUQDVJEOVFGMT-UHFFFAOYSA-N
XLogP2.37
TPSA66.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.75
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-[3-(hydroxymethyl)azetidin-1-yl]methanone?
The IUPAC name of [3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-[3-(hydroxymethyl)azetidin-1-yl]methanone (CID 121105782) is [3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-[3-(hydroxymethyl)azetidin-1-yl]methanone.
What is the SMILES notation for [3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-[3-(hydroxymethyl)azetidin-1-yl]methanone?
The canonical SMILES for [3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-[3-(hydroxymethyl)azetidin-1-yl]methanone is Cc1onc(-c2ccccc2Cl)c1C(=O)N1CC(CO)C1.
What is the InChIKey of [3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-[3-(hydroxymethyl)azetidin-1-yl]methanone?
The InChIKey is SSUQDVJEOVFGMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN2O3/c1-9-13(15(20)18-6-10(7-18)8-19)14(17-21-9)11-4-2-3-5-12(11)16/h2-5,10,19H,6-8H2,1H3.
What are the key properties of [3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-[3-(hydroxymethyl)azetidin-1-yl]methanone?
[3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-[3-(hydroxymethyl)azetidin-1-yl]methanone has a molecular weight of 306.75 g/mol, XLogP of 2.37, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-[3-(hydroxymethyl)azetidin-1-yl]methanone is sourced from PubChem (CID 121105782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).