2-[[(4S)-4-propan-2-yl-1,3-oxazolidin-3-yl]methyl]phenol

C13H19NO2 — CID 102471673

IUPAC2-[[(4S)-4-propan-2-yl-1,3-oxazolidin-3-yl]methyl]phenol
SMILESCC(C)[C@H]1COCN1Cc1ccccc1O
InChIInChI=1S/C13H19NO2/c1-10(2)12-8-16-9-14(12)7-11-5-3-4-6-13(11)15/h3-6,10,12,15H,7-9H2,1-2H3/t12-/m1/s1
InChIKeyQHTIQHKZIXVNCN-GFCCVEGCSA-N
MW221.30 g/mol
LogP2.21
Rot. Bonds3

About 2-[[(4S)-4-propan-2-yl-1,3-oxazolidin-3-yl]methyl]phenol

2-[[(4S)-4-propan-2-yl-1,3-oxazolidin-3-yl]methyl]phenol (PubChem CID 102471673) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is 2-[[(4S)-4-propan-2-yl-1,3-oxazolidin-3-yl]methyl]phenol.

Molecular Properties

Compound Name2-[[(4S)-4-propan-2-yl-1,3-oxazolidin-3-yl]methyl]phenol
PubChem CID102471673
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC Name2-[[(4S)-4-propan-2-yl-1,3-oxazolidin-3-yl]methyl]phenol
SMILESCC(C)[C@H]1COCN1Cc1ccccc1O
InChIInChI=1S/C13H19NO2/c1-10(2)12-8-16-9-14(12)7-11-5-3-4-6-13(11)15/h3-6,10,12,15H,7-9H2,1-2H3/t12-/m1/s1
InChIKeyQHTIQHKZIXVNCN-GFCCVEGCSA-N
XLogP2.21
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[[(4S)-4-propan-2-yl-1,3-oxazolidin-3-yl]methyl]phenol?
The IUPAC name of 2-[[(4S)-4-propan-2-yl-1,3-oxazolidin-3-yl]methyl]phenol (CID 102471673) is 2-[[(4S)-4-propan-2-yl-1,3-oxazolidin-3-yl]methyl]phenol.
What is the SMILES notation for 2-[[(4S)-4-propan-2-yl-1,3-oxazolidin-3-yl]methyl]phenol?
The canonical SMILES for 2-[[(4S)-4-propan-2-yl-1,3-oxazolidin-3-yl]methyl]phenol is CC(C)[C@H]1COCN1Cc1ccccc1O.
What is the InChIKey of 2-[[(4S)-4-propan-2-yl-1,3-oxazolidin-3-yl]methyl]phenol?
The InChIKey is QHTIQHKZIXVNCN-GFCCVEGCSA-N. The full InChI is InChI=1S/C13H19NO2/c1-10(2)12-8-16-9-14(12)7-11-5-3-4-6-13(11)15/h3-6,10,12,15H,7-9H2,1-2H3/t12-/m1/s1.
What are the key properties of 2-[[(4S)-4-propan-2-yl-1,3-oxazolidin-3-yl]methyl]phenol?
2-[[(4S)-4-propan-2-yl-1,3-oxazolidin-3-yl]methyl]phenol has a molecular weight of 221.30 g/mol, XLogP of 2.21, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(4S)-4-propan-2-yl-1,3-oxazolidin-3-yl]methyl]phenol is sourced from PubChem (CID 102471673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).