2-(azetidin-3-yl)-4-(4-methoxyphenyl)-1,3-oxazole

C13H14N2O2 — CID 105487768

IUPAC2-(azetidin-3-yl)-4-(4-methoxyphenyl)-1,3-oxazole
SMILESCOc1ccc(-c2coc(C3CNC3)n2)cc1
InChIInChI=1S/C13H14N2O2/c1-16-11-4-2-9(3-5-11)12-8-17-13(15-12)10-6-14-7-10/h2-5,8,10,14H,6-7H2,1H3
InChIKeyCMIMQUNSSGUZFR-UHFFFAOYSA-N
MW230.27 g/mol
LogP2.04
Rot. Bonds3

About 2-(azetidin-3-yl)-4-(4-methoxyphenyl)-1,3-oxazole

2-(azetidin-3-yl)-4-(4-methoxyphenyl)-1,3-oxazole (PubChem CID 105487768) has the molecular formula C13H14N2O2 and a molecular weight of 230.27 g/mol. Its IUPAC name is 2-(azetidin-3-yl)-4-(4-methoxyphenyl)-1,3-oxazole.

Molecular Properties

Compound Name2-(azetidin-3-yl)-4-(4-methoxyphenyl)-1,3-oxazole
PubChem CID105487768
Molecular FormulaC13H14N2O2
Molecular Weight230.27 g/mol
Exact Mass230.11
IUPAC Name2-(azetidin-3-yl)-4-(4-methoxyphenyl)-1,3-oxazole
SMILESCOc1ccc(-c2coc(C3CNC3)n2)cc1
InChIInChI=1S/C13H14N2O2/c1-16-11-4-2-9(3-5-11)12-8-17-13(15-12)10-6-14-7-10/h2-5,8,10,14H,6-7H2,1H3
InChIKeyCMIMQUNSSGUZFR-UHFFFAOYSA-N
XLogP2.04
TPSA47.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methoxy-4-(4-methoxyphenyl)-1,3-oxazole
CID 154293116
2-iodo-4-(4-methoxyphenyl)-1,3-oxazole
CID 45139286
4-(azetidin-3-yl)-6-(4-methoxyphenyl)-2-methylpyrimidine
CID 95846620
3-(4-methoxyphenyl)-5-[(3R)-pyrrolidin-3-yl]-1,2,4-oxadiazole
CID 120838044
ethane;methyl 2-(azetidin-3-yl)-1,3-oxazole-4-carboxylate
CID 145298096
2-cyclopropyl-4-(4-propylphenyl)-1,3-oxazole
CID 177017145
N-(4-methoxyphenyl)-2-piperidin-4-yl-1,3-oxazole-4-carboxamide
CID 3857041
4-(3-fluorophenyl)-2-pyrrolidin-3-yl-1,3-oxazole
CID 105490713
2-(4-methoxyphenyl)-4-piperidin-4-ylpyridine
CID 95846619
5-(4-methoxyphenyl)-3-piperidin-4-yl-1,2,4-oxadiazole
CID 63015385
2-(4-methoxyphenyl)-5-piperidin-4-yl-1,3,4-oxadiazole
CID 22308679
6-(4-methoxyphenyl)-2-methyl-N-pyrrolidin-3-ylpyrimidin-4-amine
CID 82191981

Frequently Asked Questions

What is the IUPAC name of 2-(azetidin-3-yl)-4-(4-methoxyphenyl)-1,3-oxazole?
The IUPAC name of 2-(azetidin-3-yl)-4-(4-methoxyphenyl)-1,3-oxazole (CID 105487768) is 2-(azetidin-3-yl)-4-(4-methoxyphenyl)-1,3-oxazole.
What is the SMILES notation for 2-(azetidin-3-yl)-4-(4-methoxyphenyl)-1,3-oxazole?
The canonical SMILES for 2-(azetidin-3-yl)-4-(4-methoxyphenyl)-1,3-oxazole is COc1ccc(-c2coc(C3CNC3)n2)cc1.
What is the InChIKey of 2-(azetidin-3-yl)-4-(4-methoxyphenyl)-1,3-oxazole?
The InChIKey is CMIMQUNSSGUZFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O2/c1-16-11-4-2-9(3-5-11)12-8-17-13(15-12)10-6-14-7-10/h2-5,8,10,14H,6-7H2,1H3.
What are the key properties of 2-(azetidin-3-yl)-4-(4-methoxyphenyl)-1,3-oxazole?
2-(azetidin-3-yl)-4-(4-methoxyphenyl)-1,3-oxazole has a molecular weight of 230.27 g/mol, XLogP of 2.04, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azetidin-3-yl)-4-(4-methoxyphenyl)-1,3-oxazole is sourced from PubChem (CID 105487768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).