[2-(4-ethylphenyl)-3-propan-2-yl-1,3-oxazolidin-5-yl]methanol

C15H23NO2 — CID 82119193

IUPAC[2-(4-ethylphenyl)-3-propan-2-yl-1,3-oxazolidin-5-yl]methanol
SMILESCCc1ccc(C2OC(CO)CN2C(C)C)cc1
InChIInChI=1S/C15H23NO2/c1-4-12-5-7-13(8-6-12)15-16(11(2)3)9-14(10-17)18-15/h5-8,11,14-15,17H,4,9-10H2,1-3H3
InChIKeyPZUWGCCUYGIMAF-UHFFFAOYSA-N
MW249.35 g/mol
LogP2.35
Rot. Bonds4

About [2-(4-ethylphenyl)-3-propan-2-yl-1,3-oxazolidin-5-yl]methanol

[2-(4-ethylphenyl)-3-propan-2-yl-1,3-oxazolidin-5-yl]methanol (PubChem CID 82119193) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is [2-(4-ethylphenyl)-3-propan-2-yl-1,3-oxazolidin-5-yl]methanol.

Molecular Properties

Compound Name[2-(4-ethylphenyl)-3-propan-2-yl-1,3-oxazolidin-5-yl]methanol
PubChem CID82119193
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC Name[2-(4-ethylphenyl)-3-propan-2-yl-1,3-oxazolidin-5-yl]methanol
SMILESCCc1ccc(C2OC(CO)CN2C(C)C)cc1
InChIInChI=1S/C15H23NO2/c1-4-12-5-7-13(8-6-12)15-16(11(2)3)9-14(10-17)18-15/h5-8,11,14-15,17H,4,9-10H2,1-3H3
InChIKeyPZUWGCCUYGIMAF-UHFFFAOYSA-N
XLogP2.35
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(Hydroxymethyl)piperidin-1-yl]-3-[(4-methylphenyl)-phenylmethoxy]propan-2-ol
CID 3324363
1-[Benzyl(ethyl)amino]-3-phenylmethoxypropan-2-ol
CID 44427649
3-(1,1-Dimethylethyl)-2-phenyloxazolidine-5-methanol
CID 108810
2,3-Dimethyl-2-phenyl-1,3-oxazolidine
CID 388442
3,4-Dimethyl-2,5-diphenyl-1,3-oxazolidine
CID 434347
3-Methyl-2-(4-methylphenyl)-1,3-oxazolidine
CID 3051660
2-Phenyl-3-propan-2-yl-1,3-oxazolidine
CID 254611
3-Methyl-2-[4-(3-methyl-1,3-oxazolidin-2-yl)phenyl]-1,3-oxazolidine
CID 255892
1-[(4-Methylphenyl)-phenylmethoxy]-3-(1-phenylethylamino)propan-2-ol
CID 4242936
1-[Benzyl(methyl)amino]-3-phenylmethoxypropan-2-ol
CID 44427650
[(2R,4S)-1-methyl-4-[[4-[(E)-oct-1-enyl]phenyl]methoxy]pyrrolidin-2-yl]methanol;hydrochloride
CID 155556275
(2R,3R,4R,5R)-2-[4-(methoxymethyl)phenyl]-1,5-dimethylpyrrolidine-3,4-diol
CID 155569187

Frequently Asked Questions

What is the IUPAC name of [2-(4-ethylphenyl)-3-propan-2-yl-1,3-oxazolidin-5-yl]methanol?
The IUPAC name of [2-(4-ethylphenyl)-3-propan-2-yl-1,3-oxazolidin-5-yl]methanol (CID 82119193) is [2-(4-ethylphenyl)-3-propan-2-yl-1,3-oxazolidin-5-yl]methanol.
What is the SMILES notation for [2-(4-ethylphenyl)-3-propan-2-yl-1,3-oxazolidin-5-yl]methanol?
The canonical SMILES for [2-(4-ethylphenyl)-3-propan-2-yl-1,3-oxazolidin-5-yl]methanol is CCc1ccc(C2OC(CO)CN2C(C)C)cc1.
What is the InChIKey of [2-(4-ethylphenyl)-3-propan-2-yl-1,3-oxazolidin-5-yl]methanol?
The InChIKey is PZUWGCCUYGIMAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2/c1-4-12-5-7-13(8-6-12)15-16(11(2)3)9-14(10-17)18-15/h5-8,11,14-15,17H,4,9-10H2,1-3H3.
What are the key properties of [2-(4-ethylphenyl)-3-propan-2-yl-1,3-oxazolidin-5-yl]methanol?
[2-(4-ethylphenyl)-3-propan-2-yl-1,3-oxazolidin-5-yl]methanol has a molecular weight of 249.35 g/mol, XLogP of 2.35, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-ethylphenyl)-3-propan-2-yl-1,3-oxazolidin-5-yl]methanol is sourced from PubChem (CID 82119193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).