[4-[3-(4-chlorophenyl)prop-2-ynyl]piperazin-1-yl]-(3-methyl-1,2-oxazol-5-yl)methanone

C18H18ClN3O2 — CID 71976794

IUPAC[4-[3-(4-chlorophenyl)prop-2-ynyl]piperazin-1-yl]-(3-methyl-1,2-oxazol-5-yl)methanone
SMILESCc1cc(C(=O)N2CCN(CC#Cc3ccc(Cl)cc3)CC2)on1
InChIInChI=1S/C18H18ClN3O2/c1-14-13-17(24-20-14)18(23)22-11-9-21(10-12-22)8-2-3-15-4-6-16(19)7-5-15/h4-7,13H,8-12H2,1H3
InChIKeyYNPBRXSCGUHELX-UHFFFAOYSA-N
MW343.81 g/mol
LogP2.45
Rot. Bonds2

About [4-[3-(4-chlorophenyl)prop-2-ynyl]piperazin-1-yl]-(3-methyl-1,2-oxazol-5-yl)methanone

[4-[3-(4-chlorophenyl)prop-2-ynyl]piperazin-1-yl]-(3-methyl-1,2-oxazol-5-yl)methanone (PubChem CID 71976794) has the molecular formula C18H18ClN3O2 and a molecular weight of 343.81 g/mol. Its IUPAC name is [4-[3-(4-chlorophenyl)prop-2-ynyl]piperazin-1-yl]-(3-methyl-1,2-oxazol-5-yl)methanone.

Molecular Properties

Compound Name[4-[3-(4-chlorophenyl)prop-2-ynyl]piperazin-1-yl]-(3-methyl-1,2-oxazol-5-yl)methanone
PubChem CID71976794
Molecular FormulaC18H18ClN3O2
Molecular Weight343.81 g/mol
Exact Mass343.11
IUPAC Name[4-[3-(4-chlorophenyl)prop-2-ynyl]piperazin-1-yl]-(3-methyl-1,2-oxazol-5-yl)methanone
SMILESCc1cc(C(=O)N2CCN(CC#Cc3ccc(Cl)cc3)CC2)on1
InChIInChI=1S/C18H18ClN3O2/c1-14-13-17(24-20-14)18(23)22-11-9-21(10-12-22)8-2-3-15-4-6-16(19)7-5-15/h4-7,13H,8-12H2,1H3
InChIKeyYNPBRXSCGUHELX-UHFFFAOYSA-N
XLogP2.45
TPSA49.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.81
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze [4-[3-(4-chlorophenyl)prop-2-ynyl]piperazin-1-yl]-(3-methyl-1,2-oxazol-5-yl)methanone 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

3-(4-chlorophenyl)sulfanyl-1-[4-(3-methyl-1,2-oxazole-5-carbonyl)piperazin-1-yl]propan-1-one
CID 60557703
(3-methyl-1,2-oxazol-5-yl)-(4-methylpiperazin-1-yl)methanone
CID 20868333
5,6-dichloro-2-[[4-(3-methyl-1,2-oxazole-5-carbonyl)piperazin-1-yl]methyl]isoindole-1,3-dione
CID 78890313
(3,5-dimethylphenyl)-[4-(3-methyl-1,2-oxazole-5-carbonyl)piperazin-1-yl]methanone
CID 32517272
methyl 4-(3-methyl-1,2-oxazole-5-carbonyl)piperazine-1-carboxylate
CID 78904854
N-(2-fluorophenyl)-2-[4-(3-methyl-1,2-oxazole-5-carbonyl)piperazin-1-yl]acetamide
CID 78882336
furan-3-yl-[4-(3-methyl-1,2-oxazole-5-carbonyl)piperazin-1-yl]methanone
CID 32532619
2-[4-(3-methyl-1,2-oxazole-5-carbonyl)piperazin-1-yl]-1-(4-methylpiperidin-1-yl)ethanone
CID 87017637
[4-(2,6-dichlorophenyl)sulfonylpiperazin-1-yl]-(3-methyl-1,2-oxazol-5-yl)methanone
CID 27757740
N-(2-fluorophenyl)-3-[4-(3-methyl-1,2-oxazole-5-carbonyl)piperazin-1-yl]propanamide
CID 56524799
[4-[(2S)-2-(2,5-dimethylphenyl)-2-hydroxyethyl]piperazin-1-yl]-(3-methyl-1,2-oxazol-5-yl)methanone
CID 95899794
(3-methyl-1,2-oxazol-5-yl)-[4-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]methanone
CID 37250144

Frequently Asked Questions

What is the IUPAC name of [4-[3-(4-chlorophenyl)prop-2-ynyl]piperazin-1-yl]-(3-methyl-1,2-oxazol-5-yl)methanone?
The IUPAC name of [4-[3-(4-chlorophenyl)prop-2-ynyl]piperazin-1-yl]-(3-methyl-1,2-oxazol-5-yl)methanone (CID 71976794) is [4-[3-(4-chlorophenyl)prop-2-ynyl]piperazin-1-yl]-(3-methyl-1,2-oxazol-5-yl)methanone.
What is the SMILES notation for [4-[3-(4-chlorophenyl)prop-2-ynyl]piperazin-1-yl]-(3-methyl-1,2-oxazol-5-yl)methanone?
The canonical SMILES for [4-[3-(4-chlorophenyl)prop-2-ynyl]piperazin-1-yl]-(3-methyl-1,2-oxazol-5-yl)methanone is Cc1cc(C(=O)N2CCN(CC#Cc3ccc(Cl)cc3)CC2)on1.
What is the InChIKey of [4-[3-(4-chlorophenyl)prop-2-ynyl]piperazin-1-yl]-(3-methyl-1,2-oxazol-5-yl)methanone?
The InChIKey is YNPBRXSCGUHELX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClN3O2/c1-14-13-17(24-20-14)18(23)22-11-9-21(10-12-22)8-2-3-15-4-6-16(19)7-5-15/h4-7,13H,8-12H2,1H3.
What are the key properties of [4-[3-(4-chlorophenyl)prop-2-ynyl]piperazin-1-yl]-(3-methyl-1,2-oxazol-5-yl)methanone?
[4-[3-(4-chlorophenyl)prop-2-ynyl]piperazin-1-yl]-(3-methyl-1,2-oxazol-5-yl)methanone has a molecular weight of 343.81 g/mol, XLogP of 2.45, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[3-(4-chlorophenyl)prop-2-ynyl]piperazin-1-yl]-(3-methyl-1,2-oxazol-5-yl)methanone is sourced from PubChem (CID 71976794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).