2-(3-chlorophenyl)-1-[4-[(2-cyclopropyl-1,3-oxazol-5-yl)methyl]piperazin-1-yl]ethanone

C19H22ClN3O2 — CID 136555234

IUPAC2-(3-chlorophenyl)-1-[4-[(2-cyclopropyl-1,3-oxazol-5-yl)methyl]piperazin-1-yl]ethanone
SMILESO=C(Cc1cccc(Cl)c1)N1CCN(Cc2cnc(C3CC3)o2)CC1
InChIInChI=1S/C19H22ClN3O2/c20-16-3-1-2-14(10-16)11-18(24)23-8-6-22(7-9-23)13-17-12-21-19(25-17)15-4-5-15/h1-3,10,12,15H,4-9,11,13H2
InChIKeyKCJJWIJSKQKUAD-UHFFFAOYSA-N
MW359.86 g/mol
LogP3.09
Rot. Bonds5

About 2-(3-chlorophenyl)-1-[4-[(2-cyclopropyl-1,3-oxazol-5-yl)methyl]piperazin-1-yl]ethanone

2-(3-chlorophenyl)-1-[4-[(2-cyclopropyl-1,3-oxazol-5-yl)methyl]piperazin-1-yl]ethanone (PubChem CID 136555234) has the molecular formula C19H22ClN3O2 and a molecular weight of 359.86 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-1-[4-[(2-cyclopropyl-1,3-oxazol-5-yl)methyl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-(3-chlorophenyl)-1-[4-[(2-cyclopropyl-1,3-oxazol-5-yl)methyl]piperazin-1-yl]ethanone
PubChem CID136555234
Molecular FormulaC19H22ClN3O2
Molecular Weight359.86 g/mol
Exact Mass359.14
IUPAC Name2-(3-chlorophenyl)-1-[4-[(2-cyclopropyl-1,3-oxazol-5-yl)methyl]piperazin-1-yl]ethanone
SMILESO=C(Cc1cccc(Cl)c1)N1CCN(Cc2cnc(C3CC3)o2)CC1
InChIInChI=1S/C19H22ClN3O2/c20-16-3-1-2-14(10-16)11-18(24)23-8-6-22(7-9-23)13-17-12-21-19(25-17)15-4-5-15/h1-3,10,12,15H,4-9,11,13H2
InChIKeyKCJJWIJSKQKUAD-UHFFFAOYSA-N
XLogP3.09
TPSA49.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.86
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-(3-chlorophenyl)-1-[4-[(2-cyclopropyl-1,3-oxazol-5-yl)methyl]piperazin-1-yl]ethanone with MolForge

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Related Compounds

2-(3-chlorophenyl)-1-[4-(pyridin-4-ylmethyl)-1,4-diazepan-1-yl]ethanone
CID 70741660
1-[(3S)-3-[5-[(3-chlorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-2-piperidin-1-ylethanone
CID 125005494
1-[3-[5-[(3-chlorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-2-(dimethylamino)ethanone
CID 110099349
[(3S)-3-[5-[(3-chlorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-pyridazin-4-ylmethanone
CID 125015020
2-(3-chlorophenyl)-1-[4-(piperidin-4-ylmethyl)piperazin-1-yl]ethanone;hydrochloride
CID 119932156
2-[4-[2-(3-chlorophenyl)acetyl]piperazin-1-yl]acetonitrile
CID 63336887
1-[2-[(3S)-3-[5-[(3-chlorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-2-oxoethyl]pyrrolidin-2-one
CID 124956032
1-[(3R)-3-[5-[(3-chlorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-2-(3,5-dimethylpyrazol-1-yl)ethanone
CID 125005458
2-(3-chlorophenyl)-1-[4-(1-hydroxyethyl)piperidin-1-yl]ethanone
CID 112537658
2-(3-chlorophenyl)-1-[4-(2-pyridin-4-ylethyl)piperazin-1-yl]ethanone
CID 71988771
1-[2-(3-chlorophenyl)acetyl]piperidine-4-carboxamide
CID 95211420
2-(3-chlorophenyl)-1-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]ethanone
CID 63309755

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-1-[4-[(2-cyclopropyl-1,3-oxazol-5-yl)methyl]piperazin-1-yl]ethanone?
The IUPAC name of 2-(3-chlorophenyl)-1-[4-[(2-cyclopropyl-1,3-oxazol-5-yl)methyl]piperazin-1-yl]ethanone (CID 136555234) is 2-(3-chlorophenyl)-1-[4-[(2-cyclopropyl-1,3-oxazol-5-yl)methyl]piperazin-1-yl]ethanone.
What is the SMILES notation for 2-(3-chlorophenyl)-1-[4-[(2-cyclopropyl-1,3-oxazol-5-yl)methyl]piperazin-1-yl]ethanone?
The canonical SMILES for 2-(3-chlorophenyl)-1-[4-[(2-cyclopropyl-1,3-oxazol-5-yl)methyl]piperazin-1-yl]ethanone is O=C(Cc1cccc(Cl)c1)N1CCN(Cc2cnc(C3CC3)o2)CC1.
What is the InChIKey of 2-(3-chlorophenyl)-1-[4-[(2-cyclopropyl-1,3-oxazol-5-yl)methyl]piperazin-1-yl]ethanone?
The InChIKey is KCJJWIJSKQKUAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClN3O2/c20-16-3-1-2-14(10-16)11-18(24)23-8-6-22(7-9-23)13-17-12-21-19(25-17)15-4-5-15/h1-3,10,12,15H,4-9,11,13H2.
What are the key properties of 2-(3-chlorophenyl)-1-[4-[(2-cyclopropyl-1,3-oxazol-5-yl)methyl]piperazin-1-yl]ethanone?
2-(3-chlorophenyl)-1-[4-[(2-cyclopropyl-1,3-oxazol-5-yl)methyl]piperazin-1-yl]ethanone has a molecular weight of 359.86 g/mol, XLogP of 3.09, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-1-[4-[(2-cyclopropyl-1,3-oxazol-5-yl)methyl]piperazin-1-yl]ethanone is sourced from PubChem (CID 136555234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).