2-(5-chloro-3-methyl-1,2-oxazol-4-yl)-1-[4-[(2R)-2-hydroxybutyl]piperazin-1-yl]ethanone

C14H22ClN3O3 — CID 95346076

IUPAC2-(5-chloro-3-methyl-1,2-oxazol-4-yl)-1-[4-[(2R)-2-hydroxybutyl]piperazin-1-yl]ethanone
SMILESCC[C@@H](O)CN1CCN(C(=O)Cc2c(C)noc2Cl)CC1
InChIInChI=1S/C14H22ClN3O3/c1-3-11(19)9-17-4-6-18(7-5-17)13(20)8-12-10(2)16-21-14(12)15/h11,19H,3-9H2,1-2H3/t11-/m1/s1
InChIKeyJIVKYWUXBXGFHU-LLVKDONJSA-N
MW315.80 g/mol
LogP1.09
Rot. Bonds5

About 2-(5-chloro-3-methyl-1,2-oxazol-4-yl)-1-[4-[(2R)-2-hydroxybutyl]piperazin-1-yl]ethanone

2-(5-chloro-3-methyl-1,2-oxazol-4-yl)-1-[4-[(2R)-2-hydroxybutyl]piperazin-1-yl]ethanone (PubChem CID 95346076) has the molecular formula C14H22ClN3O3 and a molecular weight of 315.80 g/mol. Its IUPAC name is 2-(5-chloro-3-methyl-1,2-oxazol-4-yl)-1-[4-[(2R)-2-hydroxybutyl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-(5-chloro-3-methyl-1,2-oxazol-4-yl)-1-[4-[(2R)-2-hydroxybutyl]piperazin-1-yl]ethanone
PubChem CID95346076
Molecular FormulaC14H22ClN3O3
Molecular Weight315.80 g/mol
Exact Mass315.13
IUPAC Name2-(5-chloro-3-methyl-1,2-oxazol-4-yl)-1-[4-[(2R)-2-hydroxybutyl]piperazin-1-yl]ethanone
SMILESCC[C@@H](O)CN1CCN(C(=O)Cc2c(C)noc2Cl)CC1
InChIInChI=1S/C14H22ClN3O3/c1-3-11(19)9-17-4-6-18(7-5-17)13(20)8-12-10(2)16-21-14(12)15/h11,19H,3-9H2,1-2H3/t11-/m1/s1
InChIKeyJIVKYWUXBXGFHU-LLVKDONJSA-N
XLogP1.09
TPSA69.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.80
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(5-chloro-3-methyl-1,2-oxazol-4-yl)-1-[4-[(2R)-2-hydroxybutyl]piperazin-1-yl]ethanone with MolForge

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Related Compounds

2-(5-chloro-3-methyl-1,2-oxazol-4-yl)-1-[4-[(2S)-2-hydroxybutyl]piperazin-1-yl]ethanone
CID 95346075
2-(5-chloro-3-methyl-1,2-oxazol-4-yl)-1-(4,4-diethylazepan-1-yl)ethanone
CID 126766318
1-[4-[(2S)-2-hydroxybutyl]piperazin-1-yl]-2-(4-methylpyrazol-1-yl)ethanone
CID 95613155
[4-[(2R)-2-hydroxybutyl]piperazin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone
CID 95613160
2-(4-fluorophenyl)-1-[4-[(2R)-2-hydroxybutyl]piperazin-1-yl]ethanone
CID 95337967
1-[4-[2-(2,6-dichlorophenyl)acetyl]piperazin-1-yl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)ethanone
CID 86877503
1-[4-(2-hydroxybutyl)piperazin-1-yl]-2-methoxyethanone
CID 111105931
1-[4-[(2S)-2-hydroxybutyl]piperazin-1-yl]-2-[4-(trifluoromethyl)phenyl]ethanone
CID 95613238
1-(4-acetyl-1,4-diazepan-1-yl)-2-(3,5-dimethyl-1,2-oxazol-4-yl)ethanone
CID 51075305
2-(5-chloro-3-methyl-1,2-oxazol-4-yl)-1-[(3R)-3-(1H-pyrazol-5-yl)piperidin-1-yl]ethanone
CID 95768590
1-[4-[(2S)-2-hydroxybutyl]piperazin-1-yl]-3-methylsulfanylpropan-1-one
CID 95340577
2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]ethanone
CID 31114163

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-3-methyl-1,2-oxazol-4-yl)-1-[4-[(2R)-2-hydroxybutyl]piperazin-1-yl]ethanone?
The IUPAC name of 2-(5-chloro-3-methyl-1,2-oxazol-4-yl)-1-[4-[(2R)-2-hydroxybutyl]piperazin-1-yl]ethanone (CID 95346076) is 2-(5-chloro-3-methyl-1,2-oxazol-4-yl)-1-[4-[(2R)-2-hydroxybutyl]piperazin-1-yl]ethanone.
What is the SMILES notation for 2-(5-chloro-3-methyl-1,2-oxazol-4-yl)-1-[4-[(2R)-2-hydroxybutyl]piperazin-1-yl]ethanone?
The canonical SMILES for 2-(5-chloro-3-methyl-1,2-oxazol-4-yl)-1-[4-[(2R)-2-hydroxybutyl]piperazin-1-yl]ethanone is CC[C@@H](O)CN1CCN(C(=O)Cc2c(C)noc2Cl)CC1.
What is the InChIKey of 2-(5-chloro-3-methyl-1,2-oxazol-4-yl)-1-[4-[(2R)-2-hydroxybutyl]piperazin-1-yl]ethanone?
The InChIKey is JIVKYWUXBXGFHU-LLVKDONJSA-N. The full InChI is InChI=1S/C14H22ClN3O3/c1-3-11(19)9-17-4-6-18(7-5-17)13(20)8-12-10(2)16-21-14(12)15/h11,19H,3-9H2,1-2H3/t11-/m1/s1.
What are the key properties of 2-(5-chloro-3-methyl-1,2-oxazol-4-yl)-1-[4-[(2R)-2-hydroxybutyl]piperazin-1-yl]ethanone?
2-(5-chloro-3-methyl-1,2-oxazol-4-yl)-1-[4-[(2R)-2-hydroxybutyl]piperazin-1-yl]ethanone has a molecular weight of 315.80 g/mol, XLogP of 1.09, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-3-methyl-1,2-oxazol-4-yl)-1-[4-[(2R)-2-hydroxybutyl]piperazin-1-yl]ethanone is sourced from PubChem (CID 95346076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).