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

C16H18ClN3O3 — CID 71995038

IUPAC[4-(4-chlorophenyl)piperazin-1-yl]-[5-(methoxymethyl)-1,2-oxazol-3-yl]methanone
SMILESCOCc1cc(C(=O)N2CCN(c3ccc(Cl)cc3)CC2)no1
InChIInChI=1S/C16H18ClN3O3/c1-22-11-14-10-15(18-23-14)16(21)20-8-6-19(7-9-20)13-4-2-12(17)3-5-13/h2-5,10H,6-9,11H2,1H3
InChIKeyNAKUHVCODVVTNC-UHFFFAOYSA-N
MW335.79 g/mol
LogP2.44
Rot. Bonds4

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

[4-(4-chlorophenyl)piperazin-1-yl]-[5-(methoxymethyl)-1,2-oxazol-3-yl]methanone (PubChem CID 71995038) has the molecular formula C16H18ClN3O3 and a molecular weight of 335.79 g/mol. Its IUPAC name is [4-(4-chlorophenyl)piperazin-1-yl]-[5-(methoxymethyl)-1,2-oxazol-3-yl]methanone.

Molecular Properties

Compound Name[4-(4-chlorophenyl)piperazin-1-yl]-[5-(methoxymethyl)-1,2-oxazol-3-yl]methanone
PubChem CID71995038
Molecular FormulaC16H18ClN3O3
Molecular Weight335.79 g/mol
Exact Mass335.10
IUPAC Name[4-(4-chlorophenyl)piperazin-1-yl]-[5-(methoxymethyl)-1,2-oxazol-3-yl]methanone
SMILESCOCc1cc(C(=O)N2CCN(c3ccc(Cl)cc3)CC2)no1
InChIInChI=1S/C16H18ClN3O3/c1-22-11-14-10-15(18-23-14)16(21)20-8-6-19(7-9-20)13-4-2-12(17)3-5-13/h2-5,10H,6-9,11H2,1H3
InChIKeyNAKUHVCODVVTNC-UHFFFAOYSA-N
XLogP2.44
TPSA58.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.79
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [4-(4-chlorophenyl)piperazin-1-yl]-[5-(methoxymethyl)-1,2-oxazol-3-yl]methanone with MolForge

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Related Compounds

[5-(methoxymethyl)-1,2-oxazol-3-yl]-(4-methylpiperazin-1-yl)methanone
CID 66158147
[5-(4-chlorophenyl)-1,2-oxazol-3-yl]-[4-(4-chlorophenyl)piperazin-1-yl]methanone
CID 95754562
2-[4-[5-(methoxymethyl)-1,2-oxazole-3-carbonyl]piperazin-1-yl]acetonitrile
CID 66156346
[5-[(2-chloro-4-fluorophenoxy)methyl]-1,2-oxazol-3-yl]-(4-pyridin-4-ylpiperazin-1-yl)methanone
CID 25369632
1-[4-[4-[5-[(6-methyl-3-pyridinyl)oxymethyl]-1,2-oxazole-3-carbonyl]piperazin-1-yl]phenyl]ethanone
CID 26394752
2-[1-[5-(methoxymethyl)-1,2-oxazole-3-carbonyl]piperidin-4-yl]oxyacetic acid
CID 66156931
(4-chlorophenyl)-[4-(5-methyl-1,2-oxazole-3-carbonyl)piperazin-1-yl]methanone
CID 51076533
[4-(4-chlorophenyl)piperazin-1-yl]-(1-propylpyrazol-3-yl)methanone
CID 95754518
[4-(4-methoxyphenyl)piperazin-1-yl]-(5-phenyl-1,2-oxazol-3-yl)methanone
CID 17011323
[4-(4-chlorophenyl)piperazin-1-yl]-(3-ethoxy-1H-pyrazol-5-yl)methanone
CID 95754602
[5-(4-chlorophenyl)-1,2-oxazol-3-yl]-(4-methylpiperazin-1-yl)methanone
CID 15997087
[5-[(5-chloro-3-pyridinyl)oxymethyl]-1,2-oxazol-3-yl]-[4-(2-methoxyethyl)piperazin-1-yl]methanone
CID 24819377

Frequently Asked Questions

What is the IUPAC name of [4-(4-chlorophenyl)piperazin-1-yl]-[5-(methoxymethyl)-1,2-oxazol-3-yl]methanone?
The IUPAC name of [4-(4-chlorophenyl)piperazin-1-yl]-[5-(methoxymethyl)-1,2-oxazol-3-yl]methanone (CID 71995038) is [4-(4-chlorophenyl)piperazin-1-yl]-[5-(methoxymethyl)-1,2-oxazol-3-yl]methanone.
What is the SMILES notation for [4-(4-chlorophenyl)piperazin-1-yl]-[5-(methoxymethyl)-1,2-oxazol-3-yl]methanone?
The canonical SMILES for [4-(4-chlorophenyl)piperazin-1-yl]-[5-(methoxymethyl)-1,2-oxazol-3-yl]methanone is COCc1cc(C(=O)N2CCN(c3ccc(Cl)cc3)CC2)no1.
What is the InChIKey of [4-(4-chlorophenyl)piperazin-1-yl]-[5-(methoxymethyl)-1,2-oxazol-3-yl]methanone?
The InChIKey is NAKUHVCODVVTNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClN3O3/c1-22-11-14-10-15(18-23-14)16(21)20-8-6-19(7-9-20)13-4-2-12(17)3-5-13/h2-5,10H,6-9,11H2,1H3.
What are the key properties of [4-(4-chlorophenyl)piperazin-1-yl]-[5-(methoxymethyl)-1,2-oxazol-3-yl]methanone?
[4-(4-chlorophenyl)piperazin-1-yl]-[5-(methoxymethyl)-1,2-oxazol-3-yl]methanone has a molecular weight of 335.79 g/mol, XLogP of 2.44, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-chlorophenyl)piperazin-1-yl]-[5-(methoxymethyl)-1,2-oxazol-3-yl]methanone is sourced from PubChem (CID 71995038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).