(5R)-5-(hydroxymethyl)-3-(1-propan-2-ylpiperidin-4-yl)-1,3-oxazolidin-2-one

C12H22N2O3 — CID 115056585

IUPAC(5R)-5-(hydroxymethyl)-3-(1-propan-2-ylpiperidin-4-yl)-1,3-oxazolidin-2-one
SMILESCC(C)N1CCC(N2C[C@H](CO)OC2=O)CC1
InChIInChI=1S/C12H22N2O3/c1-9(2)13-5-3-10(4-6-13)14-7-11(8-15)17-12(14)16/h9-11,15H,3-8H2,1-2H3/t11-/m1/s1
InChIKeyOLVTWCKVZRUZAP-LLVKDONJSA-N
MW242.32 g/mol
LogP0.67
Rot. Bonds3

About (5R)-5-(hydroxymethyl)-3-(1-propan-2-ylpiperidin-4-yl)-1,3-oxazolidin-2-one

(5R)-5-(hydroxymethyl)-3-(1-propan-2-ylpiperidin-4-yl)-1,3-oxazolidin-2-one (PubChem CID 115056585) has the molecular formula C12H22N2O3 and a molecular weight of 242.32 g/mol. Its IUPAC name is (5R)-5-(hydroxymethyl)-3-(1-propan-2-ylpiperidin-4-yl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(5R)-5-(hydroxymethyl)-3-(1-propan-2-ylpiperidin-4-yl)-1,3-oxazolidin-2-one
PubChem CID115056585
Molecular FormulaC12H22N2O3
Molecular Weight242.32 g/mol
Exact Mass242.16
IUPAC Name(5R)-5-(hydroxymethyl)-3-(1-propan-2-ylpiperidin-4-yl)-1,3-oxazolidin-2-one
SMILESCC(C)N1CCC(N2C[C@H](CO)OC2=O)CC1
InChIInChI=1S/C12H22N2O3/c1-9(2)13-5-3-10(4-6-13)14-7-11(8-15)17-12(14)16/h9-11,15H,3-8H2,1-2H3/t11-/m1/s1
InChIKeyOLVTWCKVZRUZAP-LLVKDONJSA-N
XLogP0.67
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (5R)-5-(hydroxymethyl)-3-(1-propan-2-ylpiperidin-4-yl)-1,3-oxazolidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(5R)-5-(hydroxymethyl)-3-(1-methylpiperidin-4-yl)-1,3-oxazolidin-2-one
CID 115056583
3-cyclopentyl-5-(hydroxymethyl)-1,3-oxazolidin-2-one
CID 90189648
4-(hydroxymethyl)-1-(1-propan-2-ylpiperidin-4-yl)pyrrolidin-2-one
CID 117005596
diethyl 2-[4-[[2-oxo-3-(1-propan-2-ylpiperidin-4-yl)-1,3-oxazolidin-5-yl]methyl]piperazin-1-yl]butanedioate
CID 22378446
(5R)-5-(hydroxymethyl)-3-propan-2-yl-1,3-oxazolidin-2-one
CID 2793991
3-(1-propan-2-ylpiperidin-4-yl)-1,3-oxazolidin-2-one
CID 135177505
6-(hydroxymethyl)-3-piperidin-4-yl-1,3-oxazinan-2-one
CID 117274614
3-cyclohexyl-5-(2-hydroxyethyl)-1,3-oxazolidin-2-one
CID 115064770
2-(3-cyclopropyl-2-oxo-1,3-oxazolidin-5-yl)acetic acid
CID 82406326
2-cyclopentyl-N-[(3-cyclopropyl-2-oxo-1,3-oxazolidin-5-yl)methyl]propanamide
CID 110354921
2-amino-2-butylsulfonyl-3-[4-[[2-oxo-3-(1-propan-2-ylpiperidin-4-yl)-1,3-oxazolidin-5-yl]methoxy]phenyl]propanoic acid
CID 67618953
(5S)-5-(aminomethyl)-3-[(1-propan-2-ylpiperidin-4-yl)methyl]-1,3-oxazolidin-2-one
CID 115056620

Frequently Asked Questions

What is the IUPAC name of (5R)-5-(hydroxymethyl)-3-(1-propan-2-ylpiperidin-4-yl)-1,3-oxazolidin-2-one?
The IUPAC name of (5R)-5-(hydroxymethyl)-3-(1-propan-2-ylpiperidin-4-yl)-1,3-oxazolidin-2-one (CID 115056585) is (5R)-5-(hydroxymethyl)-3-(1-propan-2-ylpiperidin-4-yl)-1,3-oxazolidin-2-one.
What is the SMILES notation for (5R)-5-(hydroxymethyl)-3-(1-propan-2-ylpiperidin-4-yl)-1,3-oxazolidin-2-one?
The canonical SMILES for (5R)-5-(hydroxymethyl)-3-(1-propan-2-ylpiperidin-4-yl)-1,3-oxazolidin-2-one is CC(C)N1CCC(N2C[C@H](CO)OC2=O)CC1.
What is the InChIKey of (5R)-5-(hydroxymethyl)-3-(1-propan-2-ylpiperidin-4-yl)-1,3-oxazolidin-2-one?
The InChIKey is OLVTWCKVZRUZAP-LLVKDONJSA-N. The full InChI is InChI=1S/C12H22N2O3/c1-9(2)13-5-3-10(4-6-13)14-7-11(8-15)17-12(14)16/h9-11,15H,3-8H2,1-2H3/t11-/m1/s1.
What are the key properties of (5R)-5-(hydroxymethyl)-3-(1-propan-2-ylpiperidin-4-yl)-1,3-oxazolidin-2-one?
(5R)-5-(hydroxymethyl)-3-(1-propan-2-ylpiperidin-4-yl)-1,3-oxazolidin-2-one has a molecular weight of 242.32 g/mol, XLogP of 0.67, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-(hydroxymethyl)-3-(1-propan-2-ylpiperidin-4-yl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 115056585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).