4-[5-(hydroxymethyl)-3-propyl-1,3-oxazolidin-2-yl]phenol

C13H19NO3 — CID 82116912

IUPAC4-[5-(hydroxymethyl)-3-propyl-1,3-oxazolidin-2-yl]phenol
SMILESCCCN1CC(CO)OC1c1ccc(O)cc1
InChIInChI=1S/C13H19NO3/c1-2-7-14-8-12(9-15)17-13(14)10-3-5-11(16)6-4-10/h3-6,12-13,15-16H,2,7-9H2,1H3
InChIKeyPNQLUTJKNHQLNL-UHFFFAOYSA-N
MW237.30 g/mol
LogP1.49
Rot. Bonds4

About 4-[5-(hydroxymethyl)-3-propyl-1,3-oxazolidin-2-yl]phenol

4-[5-(hydroxymethyl)-3-propyl-1,3-oxazolidin-2-yl]phenol (PubChem CID 82116912) has the molecular formula C13H19NO3 and a molecular weight of 237.30 g/mol. Its IUPAC name is 4-[5-(hydroxymethyl)-3-propyl-1,3-oxazolidin-2-yl]phenol.

Molecular Properties

Compound Name4-[5-(hydroxymethyl)-3-propyl-1,3-oxazolidin-2-yl]phenol
PubChem CID82116912
Molecular FormulaC13H19NO3
Molecular Weight237.30 g/mol
Exact Mass237.14
IUPAC Name4-[5-(hydroxymethyl)-3-propyl-1,3-oxazolidin-2-yl]phenol
SMILESCCCN1CC(CO)OC1c1ccc(O)cc1
InChIInChI=1S/C13H19NO3/c1-2-7-14-8-12(9-15)17-13(14)10-3-5-11(16)6-4-10/h3-6,12-13,15-16H,2,7-9H2,1H3
InChIKeyPNQLUTJKNHQLNL-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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Related Compounds

Codonopsinine
CID 10889945
4-(2,2,3-Trimethyl-1,3-oxazolidin-5-yl)phenol
CID 204759
4-[4,4-Bis(hydroxymethyl)-1,3-oxazolidin-2-yl]phenol
CID 45486922
4-(4-Propylmorpholin-2-yl)phenol
CID 44443942
3-(1,1-Dimethylethyl)-2-phenyloxazolidine-5-methanol
CID 108810
2-(4-Methoxyphenyl)-3-methyl-1,3-oxazolidine
CID 217951
(2s,3s,4r,5s)-2-(4-Methoxyphenyl)-1,5-Dimethylpyrrolidine-3,4-Diol
CID 53304444
1-[(4-Ethoxyphenyl)methyl-methylamino]-3-(oxolan-2-ylmethoxy)propan-2-ol
CID 5181159
(2R,3S,4S,5S)-2-(4-methoxyphenyl)-1,5-dimethylpyrrolidine-3,4-diol
CID 134849600
4-(3-Methyl-1,3-oxazolidin-2-yl)phenol
CID 11367345
2-Phenyl-3-isopropyl-5-hydroxymethyloxazolidine
CID 12566198
1,2-Dimethyl-3,4-dihydroxy-5-(4-methoxyphenyl)pyrrolidine
CID 14412908

Frequently Asked Questions

What is the IUPAC name of 4-[5-(hydroxymethyl)-3-propyl-1,3-oxazolidin-2-yl]phenol?
The IUPAC name of 4-[5-(hydroxymethyl)-3-propyl-1,3-oxazolidin-2-yl]phenol (CID 82116912) is 4-[5-(hydroxymethyl)-3-propyl-1,3-oxazolidin-2-yl]phenol.
What is the SMILES notation for 4-[5-(hydroxymethyl)-3-propyl-1,3-oxazolidin-2-yl]phenol?
The canonical SMILES for 4-[5-(hydroxymethyl)-3-propyl-1,3-oxazolidin-2-yl]phenol is CCCN1CC(CO)OC1c1ccc(O)cc1.
What is the InChIKey of 4-[5-(hydroxymethyl)-3-propyl-1,3-oxazolidin-2-yl]phenol?
The InChIKey is PNQLUTJKNHQLNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO3/c1-2-7-14-8-12(9-15)17-13(14)10-3-5-11(16)6-4-10/h3-6,12-13,15-16H,2,7-9H2,1H3.
What are the key properties of 4-[5-(hydroxymethyl)-3-propyl-1,3-oxazolidin-2-yl]phenol?
4-[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 4-[5-(hydroxymethyl)-3-propyl-1,3-oxazolidin-2-yl]phenol is sourced from PubChem (CID 82116912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).