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

C12H12N2O — CID 105452809

IUPAC4-(azetidin-3-yl)-2-phenyl-1,3-oxazole
SMILESc1ccc(-c2nc(C3CNC3)co2)cc1
InChIInChI=1S/C12H12N2O/c1-2-4-9(5-3-1)12-14-11(8-15-12)10-6-13-7-10/h1-5,8,10,13H,6-7H2
InChIKeyXNFMHYTUMDEVIL-UHFFFAOYSA-N
MW200.24 g/mol
LogP2.03
Rot. Bonds2

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

4-(azetidin-3-yl)-2-phenyl-1,3-oxazole (PubChem CID 105452809) has the molecular formula C12H12N2O and a molecular weight of 200.24 g/mol. Its IUPAC name is 4-(azetidin-3-yl)-2-phenyl-1,3-oxazole.

Molecular Properties

Compound Name4-(azetidin-3-yl)-2-phenyl-1,3-oxazole
PubChem CID105452809
Molecular FormulaC12H12N2O
Molecular Weight200.24 g/mol
Exact Mass200.09
IUPAC Name4-(azetidin-3-yl)-2-phenyl-1,3-oxazole
SMILESc1ccc(-c2nc(C3CNC3)co2)cc1
InChIInChI=1S/C12H12N2O/c1-2-4-9(5-3-1)12-14-11(8-15-12)10-6-13-7-10/h1-5,8,10,13H,6-7H2
InChIKeyXNFMHYTUMDEVIL-UHFFFAOYSA-N
XLogP2.03
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.24
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-(azetidin-3-yl)-2-phenyl-1,3-oxazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-phenyl-4-pyrrolidin-2-yl-1,3-oxazole
CID 115028763
[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-(2-phenyl-1,3-oxazol-4-yl)methanone
CID 120659449
2-(2-methoxyphenyl)-4-pyrrolidin-3-yl-1,3-oxazole
CID 115045278
4-[[(2-phenyl-1,3-oxazol-4-yl)methylamino]methyl]pyrrolidin-3-ol
CID 120961897
4-fluoro-2-phenyl-1,3-oxazole
CID 141447377
2-phenyl-N-(2-pyrrolidin-3-ylethyl)-1,3-oxazole-4-carboxamide
CID 119538139
N-methyl-N-[(2-phenyl-1,3-oxazol-4-yl)methyl]pyrrolidin-3-amine
CID 63297902
2-phenyl-N-piperidin-4-yl-1,3-oxazole-4-carboxamide
CID 119390406
5-phenyl-3-[(3R)-pyrrolidin-3-yl]-1,2,4-oxadiazole
CID 99727838
4-(2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridin-1-ylmethyl)-2-phenyl-1,3-oxazole
CID 102681708
2-(4-chlorophenyl)-4-phenyl-1,3-oxazole
CID 15358896
N-methyl-N-[(2-phenyl-1,3-oxazol-4-yl)methyl]piperidin-3-amine
CID 63643903

Frequently Asked Questions

What is the IUPAC name of 4-(azetidin-3-yl)-2-phenyl-1,3-oxazole?
The IUPAC name of 4-(azetidin-3-yl)-2-phenyl-1,3-oxazole (CID 105452809) is 4-(azetidin-3-yl)-2-phenyl-1,3-oxazole.
What is the SMILES notation for 4-(azetidin-3-yl)-2-phenyl-1,3-oxazole?
The canonical SMILES for 4-(azetidin-3-yl)-2-phenyl-1,3-oxazole is c1ccc(-c2nc(C3CNC3)co2)cc1.
What is the InChIKey of 4-(azetidin-3-yl)-2-phenyl-1,3-oxazole?
The InChIKey is XNFMHYTUMDEVIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O/c1-2-4-9(5-3-1)12-14-11(8-15-12)10-6-13-7-10/h1-5,8,10,13H,6-7H2.
What are the key properties of 4-(azetidin-3-yl)-2-phenyl-1,3-oxazole?
4-(azetidin-3-yl)-2-phenyl-1,3-oxazole has a molecular weight of 200.24 g/mol, XLogP of 2.03, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(azetidin-3-yl)-2-phenyl-1,3-oxazole is sourced from PubChem (CID 105452809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).