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

C16H25NO2 — CID 82122252

IUPAC[3-propan-2-yl-2-(4-propan-2-ylphenyl)-1,3-oxazolidin-5-yl]methanol
SMILESCC(C)c1ccc(C2OC(CO)CN2C(C)C)cc1
InChIInChI=1S/C16H25NO2/c1-11(2)13-5-7-14(8-6-13)16-17(12(3)4)9-15(10-18)19-16/h5-8,11-12,15-16,18H,9-10H2,1-4H3
InChIKeyDVUDPQXLZQWITI-UHFFFAOYSA-N
MW263.38 g/mol
LogP2.91
Rot. Bonds4

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

[3-propan-2-yl-2-(4-propan-2-ylphenyl)-1,3-oxazolidin-5-yl]methanol (PubChem CID 82122252) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is [3-propan-2-yl-2-(4-propan-2-ylphenyl)-1,3-oxazolidin-5-yl]methanol.

Molecular Properties

Compound Name[3-propan-2-yl-2-(4-propan-2-ylphenyl)-1,3-oxazolidin-5-yl]methanol
PubChem CID82122252
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC Name[3-propan-2-yl-2-(4-propan-2-ylphenyl)-1,3-oxazolidin-5-yl]methanol
SMILESCC(C)c1ccc(C2OC(CO)CN2C(C)C)cc1
InChIInChI=1S/C16H25NO2/c1-11(2)13-5-7-14(8-6-13)16-17(12(3)4)9-15(10-18)19-16/h5-8,11-12,15-16,18H,9-10H2,1-4H3
InChIKeyDVUDPQXLZQWITI-UHFFFAOYSA-N
XLogP2.91
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [3-propan-2-yl-2-(4-propan-2-ylphenyl)-1,3-oxazolidin-5-yl]methanol?
The IUPAC name of [3-propan-2-yl-2-(4-propan-2-ylphenyl)-1,3-oxazolidin-5-yl]methanol (CID 82122252) is [3-propan-2-yl-2-(4-propan-2-ylphenyl)-1,3-oxazolidin-5-yl]methanol.
What is the SMILES notation for [3-propan-2-yl-2-(4-propan-2-ylphenyl)-1,3-oxazolidin-5-yl]methanol?
The canonical SMILES for [3-propan-2-yl-2-(4-propan-2-ylphenyl)-1,3-oxazolidin-5-yl]methanol is CC(C)c1ccc(C2OC(CO)CN2C(C)C)cc1.
What is the InChIKey of [3-propan-2-yl-2-(4-propan-2-ylphenyl)-1,3-oxazolidin-5-yl]methanol?
The InChIKey is DVUDPQXLZQWITI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-11(2)13-5-7-14(8-6-13)16-17(12(3)4)9-15(10-18)19-16/h5-8,11-12,15-16,18H,9-10H2,1-4H3.
What are the key properties of [3-propan-2-yl-2-(4-propan-2-ylphenyl)-1,3-oxazolidin-5-yl]methanol?
[3-propan-2-yl-2-(4-propan-2-ylphenyl)-1,3-oxazolidin-5-yl]methanol has a molecular weight of 263.38 g/mol, XLogP of 2.91, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-propan-2-yl-2-(4-propan-2-ylphenyl)-1,3-oxazolidin-5-yl]methanol is sourced from PubChem (CID 82122252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).