2-(azetidin-3-ylmethyl)-5-(2-methylphenyl)-1,3-oxazole

C14H16N2O — CID 115036776

IUPAC2-(azetidin-3-ylmethyl)-5-(2-methylphenyl)-1,3-oxazole
SMILESCc1ccccc1-c1cnc(CC2CNC2)o1
InChIInChI=1S/C14H16N2O/c1-10-4-2-3-5-12(10)13-9-16-14(17-13)6-11-7-15-8-11/h2-5,9,11,15H,6-8H2,1H3
InChIKeyBACZZZFFNCWXKS-UHFFFAOYSA-N
MW228.30 g/mol
LogP2.41
Rot. Bonds3

About 2-(azetidin-3-ylmethyl)-5-(2-methylphenyl)-1,3-oxazole

2-(azetidin-3-ylmethyl)-5-(2-methylphenyl)-1,3-oxazole (PubChem CID 115036776) has the molecular formula C14H16N2O and a molecular weight of 228.30 g/mol. Its IUPAC name is 2-(azetidin-3-ylmethyl)-5-(2-methylphenyl)-1,3-oxazole.

Molecular Properties

Compound Name2-(azetidin-3-ylmethyl)-5-(2-methylphenyl)-1,3-oxazole
PubChem CID115036776
Molecular FormulaC14H16N2O
Molecular Weight228.30 g/mol
Exact Mass228.13
IUPAC Name2-(azetidin-3-ylmethyl)-5-(2-methylphenyl)-1,3-oxazole
SMILESCc1ccccc1-c1cnc(CC2CNC2)o1
InChIInChI=1S/C14H16N2O/c1-10-4-2-3-5-12(10)13-9-16-14(17-13)6-11-7-15-8-11/h2-5,9,11,15H,6-8H2,1H3
InChIKeyBACZZZFFNCWXKS-UHFFFAOYSA-N
XLogP2.41
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.30
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(azetidin-3-ylmethyl)-5-(2-methylphenyl)-1,3-oxazole?
The IUPAC name of 2-(azetidin-3-ylmethyl)-5-(2-methylphenyl)-1,3-oxazole (CID 115036776) is 2-(azetidin-3-ylmethyl)-5-(2-methylphenyl)-1,3-oxazole.
What is the SMILES notation for 2-(azetidin-3-ylmethyl)-5-(2-methylphenyl)-1,3-oxazole?
The canonical SMILES for 2-(azetidin-3-ylmethyl)-5-(2-methylphenyl)-1,3-oxazole is Cc1ccccc1-c1cnc(CC2CNC2)o1.
What is the InChIKey of 2-(azetidin-3-ylmethyl)-5-(2-methylphenyl)-1,3-oxazole?
The InChIKey is BACZZZFFNCWXKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O/c1-10-4-2-3-5-12(10)13-9-16-14(17-13)6-11-7-15-8-11/h2-5,9,11,15H,6-8H2,1H3.
What are the key properties of 2-(azetidin-3-ylmethyl)-5-(2-methylphenyl)-1,3-oxazole?
2-(azetidin-3-ylmethyl)-5-(2-methylphenyl)-1,3-oxazole has a molecular weight of 228.30 g/mol, XLogP of 2.41, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azetidin-3-ylmethyl)-5-(2-methylphenyl)-1,3-oxazole is sourced from PubChem (CID 115036776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).