3-[5-(hydroxymethyl)-3-propyl-1,3-oxazolidin-2-yl]phenol

C13H19NO3 — CID 82116914

IUPAC3-[5-(hydroxymethyl)-3-propyl-1,3-oxazolidin-2-yl]phenol
SMILESCCCN1CC(CO)OC1c1cccc(O)c1
InChIInChI=1S/C13H19NO3/c1-2-6-14-8-12(9-15)17-13(14)10-4-3-5-11(16)7-10/h3-5,7,12-13,15-16H,2,6,8-9H2,1H3
InChIKeyMVPLITQSPNBQIS-UHFFFAOYSA-N
MW237.30 g/mol
LogP1.49
Rot. Bonds4

About 3-[5-(hydroxymethyl)-3-propyl-1,3-oxazolidin-2-yl]phenol

3-[5-(hydroxymethyl)-3-propyl-1,3-oxazolidin-2-yl]phenol (PubChem CID 82116914) has the molecular formula C13H19NO3 and a molecular weight of 237.30 g/mol. Its IUPAC name is 3-[5-(hydroxymethyl)-3-propyl-1,3-oxazolidin-2-yl]phenol.

Molecular Properties

Compound Name3-[5-(hydroxymethyl)-3-propyl-1,3-oxazolidin-2-yl]phenol
PubChem CID82116914
Molecular FormulaC13H19NO3
Molecular Weight237.30 g/mol
Exact Mass237.14
IUPAC Name3-[5-(hydroxymethyl)-3-propyl-1,3-oxazolidin-2-yl]phenol
SMILESCCCN1CC(CO)OC1c1cccc(O)c1
InChIInChI=1S/C13H19NO3/c1-2-6-14-8-12(9-15)17-13(14)10-4-3-5-11(16)7-10/h3-5,7,12-13,15-16H,2,6,8-9H2,1H3
InChIKeyMVPLITQSPNBQIS-UHFFFAOYSA-N
XLogP1.49
TPSA52.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[5-(hydroxymethyl)-3-propyl-1,3-oxazolidin-2-yl]phenol?
The IUPAC name of 3-[5-(hydroxymethyl)-3-propyl-1,3-oxazolidin-2-yl]phenol (CID 82116914) is 3-[5-(hydroxymethyl)-3-propyl-1,3-oxazolidin-2-yl]phenol.
What is the SMILES notation for 3-[5-(hydroxymethyl)-3-propyl-1,3-oxazolidin-2-yl]phenol?
The canonical SMILES for 3-[5-(hydroxymethyl)-3-propyl-1,3-oxazolidin-2-yl]phenol is CCCN1CC(CO)OC1c1cccc(O)c1.
What is the InChIKey of 3-[5-(hydroxymethyl)-3-propyl-1,3-oxazolidin-2-yl]phenol?
The InChIKey is MVPLITQSPNBQIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO3/c1-2-6-14-8-12(9-15)17-13(14)10-4-3-5-11(16)7-10/h3-5,7,12-13,15-16H,2,6,8-9H2,1H3.
What are the key properties of 3-[5-(hydroxymethyl)-3-propyl-1,3-oxazolidin-2-yl]phenol?
3-[5-(hydroxymethyl)-3-propyl-1,3-oxazolidin-2-yl]phenol has a molecular weight of 237.30 g/mol, XLogP of 1.49, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(hydroxymethyl)-3-propyl-1,3-oxazolidin-2-yl]phenol is sourced from PubChem (CID 82116914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).