1-(4-hydroxy-1,2-oxazolidin-2-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-one

C12H19N3O3 — CID 70769125

IUPAC1-(4-hydroxy-1,2-oxazolidin-2-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-one
SMILESCc1nn(C)c(C)c1CCC(=O)N1CC(O)CO1
InChIInChI=1S/C12H19N3O3/c1-8-11(9(2)14(3)13-8)4-5-12(17)15-6-10(16)7-18-15/h10,16H,4-7H2,1-3H3
InChIKeyKOYJGKZXLHIYAB-UHFFFAOYSA-N
MW253.30 g/mol
LogP0.10
Rot. Bonds3

About 1-(4-hydroxy-1,2-oxazolidin-2-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-one

1-(4-hydroxy-1,2-oxazolidin-2-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-one (PubChem CID 70769125) has the molecular formula C12H19N3O3 and a molecular weight of 253.30 g/mol. Its IUPAC name is 1-(4-hydroxy-1,2-oxazolidin-2-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-one.

Molecular Properties

Compound Name1-(4-hydroxy-1,2-oxazolidin-2-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-one
PubChem CID70769125
Molecular FormulaC12H19N3O3
Molecular Weight253.30 g/mol
Exact Mass253.14
IUPAC Name1-(4-hydroxy-1,2-oxazolidin-2-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-one
SMILESCc1nn(C)c(C)c1CCC(=O)N1CC(O)CO1
InChIInChI=1S/C12H19N3O3/c1-8-11(9(2)14(3)13-8)4-5-12(17)15-6-10(16)7-18-15/h10,16H,4-7H2,1-3H3
InChIKeyKOYJGKZXLHIYAB-UHFFFAOYSA-N
XLogP0.10
TPSA67.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 50.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-(4-hydroxy-1,2-oxazolidin-2-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-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

1-(4-hydroxypiperidin-1-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-one
CID 43416095
4-hydroxy-1-[3-(1,3,5-trimethylpyrazol-4-yl)propanoyl]pyrrolidine-2-carboxylic acid
CID 43356916
3-cyclopentyl-1-[4-[3-(1,3,5-trimethylpyrazol-4-yl)propanoyl]piperazin-1-yl]propan-1-one
CID 134021038
1-[3-(1,3,5-trimethylpyrazol-4-yl)propanoyl]pyrrolidine-3-carboxylic acid
CID 63032850
1-thiomorpholin-4-yl-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-one
CID 71688984
1-[(3R,4R)-4-hydroxy-1-[3-(1,3,5-trimethylpyrazol-4-yl)propanoyl]pyrrolidin-3-yl]-N,N-dimethylmethanesulfonamide
CID 155495570
1-[4-[(1S,2R)-2-hydroxycyclopentyl]piperazin-1-yl]-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-one
CID 96500760
1-[(4aS,8aS)-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl]-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-one
CID 94103252
N-[(3aS,5R,6R,7aR)-6-hydroxy-2-[3-(1,3,5-trimethylpyrazol-4-yl)propanoyl]-1,3,3a,4,5,6,7,7a-octahydroisoindol-5-yl]acetamide
CID 172670915
N-[(3S,4R)-3-hydroxyoxan-4-yl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 91785336
1-(4-pyrimidin-2-ylpiperazin-1-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-one
CID 36873080
1-[2-(hydroxymethyl)-2,5-dihydropyrrol-1-yl]-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-one
CID 70717109

Frequently Asked Questions

What is the IUPAC name of 1-(4-hydroxy-1,2-oxazolidin-2-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-one?
The IUPAC name of 1-(4-hydroxy-1,2-oxazolidin-2-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-one (CID 70769125) is 1-(4-hydroxy-1,2-oxazolidin-2-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-one.
What is the SMILES notation for 1-(4-hydroxy-1,2-oxazolidin-2-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-one?
The canonical SMILES for 1-(4-hydroxy-1,2-oxazolidin-2-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-one is Cc1nn(C)c(C)c1CCC(=O)N1CC(O)CO1.
What is the InChIKey of 1-(4-hydroxy-1,2-oxazolidin-2-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-one?
The InChIKey is KOYJGKZXLHIYAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O3/c1-8-11(9(2)14(3)13-8)4-5-12(17)15-6-10(16)7-18-15/h10,16H,4-7H2,1-3H3.
What are the key properties of 1-(4-hydroxy-1,2-oxazolidin-2-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-one?
1-(4-hydroxy-1,2-oxazolidin-2-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-one has a molecular weight of 253.30 g/mol, XLogP of 0.10, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-hydroxy-1,2-oxazolidin-2-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-one is sourced from PubChem (CID 70769125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).