1-[[2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]azetidin-3-ol

C14H16N2O2 — CID 55169599

IUPAC1-[[2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]azetidin-3-ol
SMILESCc1ccc(-c2nc(CN3CC(O)C3)co2)cc1
InChIInChI=1S/C14H16N2O2/c1-10-2-4-11(5-3-10)14-15-12(9-18-14)6-16-7-13(17)8-16/h2-5,9,13,17H,6-8H2,1H3
InChIKeyZFCKSTSOLGMJBR-UHFFFAOYSA-N
MW244.29 g/mol
LogP1.83
Rot. Bonds3

About 1-[[2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]azetidin-3-ol

1-[[2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]azetidin-3-ol (PubChem CID 55169599) has the molecular formula C14H16N2O2 and a molecular weight of 244.29 g/mol. Its IUPAC name is 1-[[2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]azetidin-3-ol.

Molecular Properties

Compound Name1-[[2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]azetidin-3-ol
PubChem CID55169599
Molecular FormulaC14H16N2O2
Molecular Weight244.29 g/mol
Exact Mass244.12
IUPAC Name1-[[2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]azetidin-3-ol
SMILESCc1ccc(-c2nc(CN3CC(O)C3)co2)cc1
InChIInChI=1S/C14H16N2O2/c1-10-2-4-11(5-3-10)14-15-12(9-18-14)6-16-7-13(17)8-16/h2-5,9,13,17H,6-8H2,1H3
InChIKeyZFCKSTSOLGMJBR-UHFFFAOYSA-N
XLogP1.83
TPSA49.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[[2-(4-chlorophenyl)-1,3-oxazol-4-yl]methyl]pyrrolidine-3,4-diol
CID 106672993
(3S,4R)-1-[(2-phenyl-1,3-oxazol-4-yl)methyl]pyrrolidine-3,4-diol
CID 79411338
4-methyl-1-[[2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]piperidin-4-ol
CID 80703344
4-[[(4aS,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]methyl]-2-(4-methylphenyl)-1,3-oxazole
CID 56662511
(3S,4R)-1-[[2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]-4-phenylpyrrolidin-3-amine
CID 120761019
1-[1-[[2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]piperidin-3-yl]ethanamine;hydrochloride
CID 119925586
1-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]-3-methylpiperidin-4-ol
CID 114681165
[(2S)-1-[[2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]pyrrolidin-2-yl]methanol
CID 79028438
2-[1-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]azetidin-3-yl]acetic acid
CID 64618913
4-methyl-1-[(2-phenyl-1,3-oxazol-4-yl)methyl]pyrrolidine-3-carboxylic acid
CID 63720352
4-(bromomethyl)-2-(4-methylphenyl)-1,3-oxazole
CID 79021813
4-[[(1S,5R)-8-methoxy-3-azabicyclo[3.2.1]octan-3-yl]methyl]-2-phenyl-1,3-oxazole
CID 74235764

Frequently Asked Questions

What is the IUPAC name of 1-[[2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]azetidin-3-ol?
The IUPAC name of 1-[[2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]azetidin-3-ol (CID 55169599) is 1-[[2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]azetidin-3-ol.
What is the SMILES notation for 1-[[2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]azetidin-3-ol?
The canonical SMILES for 1-[[2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]azetidin-3-ol is Cc1ccc(-c2nc(CN3CC(O)C3)co2)cc1.
What is the InChIKey of 1-[[2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]azetidin-3-ol?
The InChIKey is ZFCKSTSOLGMJBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2/c1-10-2-4-11(5-3-10)14-15-12(9-18-14)6-16-7-13(17)8-16/h2-5,9,13,17H,6-8H2,1H3.
What are the key properties of 1-[[2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]azetidin-3-ol?
1-[[2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]azetidin-3-ol has a molecular weight of 244.29 g/mol, XLogP of 1.83, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]azetidin-3-ol is sourced from PubChem (CID 55169599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).