5-(3-hydroxypropyl)-5-methyl-1,3-oxazolidin-2-one

C7H13NO3 — CID 117158906

IUPAC5-(3-hydroxypropyl)-5-methyl-1,3-oxazolidin-2-one
SMILESCC1(CCCO)CNC(=O)O1
InChIInChI=1S/C7H13NO3/c1-7(3-2-4-9)5-8-6(10)11-7/h9H,2-5H2,1H3,(H,8,10)
InChIKeyKABFTCKOGUSOAB-UHFFFAOYSA-N
MW159.18 g/mol
LogP0.26
Rot. Bonds3

About 5-(3-hydroxypropyl)-5-methyl-1,3-oxazolidin-2-one

5-(3-hydroxypropyl)-5-methyl-1,3-oxazolidin-2-one (PubChem CID 117158906) has the molecular formula C7H13NO3 and a molecular weight of 159.18 g/mol. Its IUPAC name is 5-(3-hydroxypropyl)-5-methyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name5-(3-hydroxypropyl)-5-methyl-1,3-oxazolidin-2-one
PubChem CID117158906
Molecular FormulaC7H13NO3
Molecular Weight159.18 g/mol
Exact Mass159.09
IUPAC Name5-(3-hydroxypropyl)-5-methyl-1,3-oxazolidin-2-one
SMILESCC1(CCCO)CNC(=O)O1
InChIInChI=1S/C7H13NO3/c1-7(3-2-4-9)5-8-6(10)11-7/h9H,2-5H2,1H3,(H,8,10)
InChIKeyKABFTCKOGUSOAB-UHFFFAOYSA-N
XLogP0.26
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.18
LogP ≤ 50.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-{[4-(hydroxymethyl)oxolan-2-yl]methyl}carbamate
CID 154879379
tert-butyl N-{[3-(hydroxymethyl)-1-methoxycyclobutyl]methyl}carbamate
CID 178199950
(S)-4-(2-Hydroxy-2-methylpropyl)oxazolidin-2-one
CID 11321109
4-(2-Hydroxy-2-methylpropyl)oxazolidin-2-one
CID 69341199
(4S)-4-(3,3,3-trideuterio-2-hydroxy-2-methylpropyl)-1,3-oxazolidin-2-one
CID 90304699
5-(3-Hydroxypropyl)-1,3-oxazolidin-2-one
CID 117158746
(2-Methyloxolan-2-yl)methylcarbamic acid
CID 122613669
(R)-4-(2-Hydroxy-2-methylpropyl)oxazolidin-2-one
CID 124547545
(4S)-4-[3,3,3-trideuterio-2-hydroxy-2-(trideuteriomethyl)propyl]-1,3-oxazolidin-2-one
CID 140622903
5-(4-Hydroxy-2-methylpentan-2-yl)-1,3-oxazolidin-2-one
CID 169586548
4-[3,3,3-Trideuterio-2-hydroxy-2-(trideuteriomethyl)propyl]-1,3-oxazolidin-2-one
CID 175061530
tert-butyl N-[(2-methyloxolan-2-yl)methyl]carbamate
CID 80193472

Frequently Asked Questions

What is the IUPAC name of 5-(3-hydroxypropyl)-5-methyl-1,3-oxazolidin-2-one?
The IUPAC name of 5-(3-hydroxypropyl)-5-methyl-1,3-oxazolidin-2-one (CID 117158906) is 5-(3-hydroxypropyl)-5-methyl-1,3-oxazolidin-2-one.
What is the SMILES notation for 5-(3-hydroxypropyl)-5-methyl-1,3-oxazolidin-2-one?
The canonical SMILES for 5-(3-hydroxypropyl)-5-methyl-1,3-oxazolidin-2-one is CC1(CCCO)CNC(=O)O1.
What is the InChIKey of 5-(3-hydroxypropyl)-5-methyl-1,3-oxazolidin-2-one?
The InChIKey is KABFTCKOGUSOAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO3/c1-7(3-2-4-9)5-8-6(10)11-7/h9H,2-5H2,1H3,(H,8,10).
What are the key properties of 5-(3-hydroxypropyl)-5-methyl-1,3-oxazolidin-2-one?
5-(3-hydroxypropyl)-5-methyl-1,3-oxazolidin-2-one has a molecular weight of 159.18 g/mol, XLogP of 0.26, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-hydroxypropyl)-5-methyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 117158906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).