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

C16H17Cl2N3O2 — CID 51269599

IUPAC(3,4-dichlorophenyl)-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]methanone
SMILESCc1cc(CN2CCN(C(=O)c3ccc(Cl)c(Cl)c3)CC2)on1
InChIInChI=1S/C16H17Cl2N3O2/c1-11-8-13(23-19-11)10-20-4-6-21(7-5-20)16(22)12-2-3-14(17)15(18)9-12/h2-3,8-9H,4-7,10H2,1H3
InChIKeyCHAKPVSAFNHZRK-UHFFFAOYSA-N
MW354.24 g/mol
LogP3.25
Rot. Bonds3

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

(3,4-dichlorophenyl)-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]methanone (PubChem CID 51269599) has the molecular formula C16H17Cl2N3O2 and a molecular weight of 354.24 g/mol. Its IUPAC name is (3,4-dichlorophenyl)-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]methanone.

Molecular Properties

Compound Name(3,4-dichlorophenyl)-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]methanone
PubChem CID51269599
Molecular FormulaC16H17Cl2N3O2
Molecular Weight354.24 g/mol
Exact Mass353.07
IUPAC Name(3,4-dichlorophenyl)-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]methanone
SMILESCc1cc(CN2CCN(C(=O)c3ccc(Cl)c(Cl)c3)CC2)on1
InChIInChI=1S/C16H17Cl2N3O2/c1-11-8-13(23-19-11)10-20-4-6-21(7-5-20)16(22)12-2-3-14(17)15(18)9-12/h2-3,8-9H,4-7,10H2,1H3
InChIKeyCHAKPVSAFNHZRK-UHFFFAOYSA-N
XLogP3.25
TPSA49.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.24
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]-(4-methylphenyl)methanone
CID 51269605
[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]-(4-propan-2-ylphenyl)methanone
CID 46684613
(3-aminophenyl)-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]methanone
CID 119399318
(3-bromo-4-methoxyphenyl)-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]methanone
CID 46685283
(3,4-dichlorophenyl)-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]-1,4-diazepan-1-yl]methanone
CID 110423059
(2-bromo-5-chlorophenyl)-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]methanone
CID 78849723
[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]-(4-pyrazol-1-ylphenyl)methanone
CID 134063596
(3-methoxy-4-prop-2-enoxyphenyl)-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]methanone
CID 51278593
2-(2-chlorophenyl)-1-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]ethanone
CID 56810432
(5-bromo-2-hydroxyphenyl)-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]methanone
CID 51269631
[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]-[4-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]methanone
CID 134048136
[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]-[4-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]phenyl]methanone
CID 134063523

Frequently Asked Questions

What is the IUPAC name of (3,4-dichlorophenyl)-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]methanone?
The IUPAC name of (3,4-dichlorophenyl)-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]methanone (CID 51269599) is (3,4-dichlorophenyl)-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]methanone.
What is the SMILES notation for (3,4-dichlorophenyl)-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]methanone?
The canonical SMILES for (3,4-dichlorophenyl)-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]methanone is Cc1cc(CN2CCN(C(=O)c3ccc(Cl)c(Cl)c3)CC2)on1.
What is the InChIKey of (3,4-dichlorophenyl)-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]methanone?
The InChIKey is CHAKPVSAFNHZRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17Cl2N3O2/c1-11-8-13(23-19-11)10-20-4-6-21(7-5-20)16(22)12-2-3-14(17)15(18)9-12/h2-3,8-9H,4-7,10H2,1H3.
What are the key properties of (3,4-dichlorophenyl)-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]methanone?
(3,4-dichlorophenyl)-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]methanone has a molecular weight of 354.24 g/mol, XLogP of 3.25, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-dichlorophenyl)-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]methanone is sourced from PubChem (CID 51269599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).