3-[[3-[4-(3-chlorophenyl)piperazin-1-yl]piperidin-1-yl]methyl]-1,2-oxazole

C19H25ClN4O — CID 45207862

IUPAC3-[[3-[4-(3-chlorophenyl)piperazin-1-yl]piperidin-1-yl]methyl]-1,2-oxazole
SMILESClc1cccc(N2CCN(C3CCCN(Cc4ccon4)C3)CC2)c1
InChIInChI=1S/C19H25ClN4O/c20-16-3-1-4-18(13-16)23-8-10-24(11-9-23)19-5-2-7-22(15-19)14-17-6-12-25-21-17/h1,3-4,6,12-13,19H,2,5,7-11,14-15H2
InChIKeyBMCKKWNFSLZKHW-UHFFFAOYSA-N
MW360.89 g/mol
LogP3.11
Rot. Bonds4

About 3-[[3-[4-(3-chlorophenyl)piperazin-1-yl]piperidin-1-yl]methyl]-1,2-oxazole

3-[[3-[4-(3-chlorophenyl)piperazin-1-yl]piperidin-1-yl]methyl]-1,2-oxazole (PubChem CID 45207862) has the molecular formula C19H25ClN4O and a molecular weight of 360.89 g/mol. Its IUPAC name is 3-[[3-[4-(3-chlorophenyl)piperazin-1-yl]piperidin-1-yl]methyl]-1,2-oxazole.

Molecular Properties

Compound Name3-[[3-[4-(3-chlorophenyl)piperazin-1-yl]piperidin-1-yl]methyl]-1,2-oxazole
PubChem CID45207862
Molecular FormulaC19H25ClN4O
Molecular Weight360.89 g/mol
Exact Mass360.17
IUPAC Name3-[[3-[4-(3-chlorophenyl)piperazin-1-yl]piperidin-1-yl]methyl]-1,2-oxazole
SMILESClc1cccc(N2CCN(C3CCCN(Cc4ccon4)C3)CC2)c1
InChIInChI=1S/C19H25ClN4O/c20-16-3-1-4-18(13-16)23-8-10-24(11-9-23)19-5-2-7-22(15-19)14-17-6-12-25-21-17/h1,3-4,6,12-13,19H,2,5,7-11,14-15H2
InChIKeyBMCKKWNFSLZKHW-UHFFFAOYSA-N
XLogP3.11
TPSA35.75 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.89
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3-chlorophenyl)-4-[(3R)-1-[(5-methylthiophen-2-yl)methyl]piperidin-3-yl]piperazine
CID 29029571
1-(3-chlorophenyl)-4-[(3S)-1-[(2-methoxyphenyl)methyl]piperidin-3-yl]piperazine
CID 30722364
[1-[1-(1,2-oxazol-3-ylmethyl)piperidin-3-yl]piperidin-4-yl]methanol
CID 45252929
3-[[(3S)-3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]piperidin-1-yl]methyl]-1,2-oxazole
CID 29022821
3-[[3-(3,4-dihydro-1H-isoquinolin-2-yl)piperidin-1-yl]methyl]-1,2-oxazole
CID 45233883
1-[(3R)-3-[4-(3-chlorophenyl)piperazin-1-yl]piperidin-1-yl]-2-hydroxyethanone
CID 95729472
2-[(3S)-3-[4-(3-chlorophenyl)piperazin-1-yl]piperidin-1-yl]-2-oxoacetamide
CID 95713635
5-[[(8aS)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]methyl]-3-(3-chlorophenyl)-1,2,4-oxadiazole
CID 124751901
1-[(3S)-3-[4-(3-chlorophenyl)piperazin-1-yl]piperidin-1-yl]-3-methylsulfanylpropan-1-one
CID 26337291
2-[4-[4-(3-chlorophenyl)piperazin-1-yl]butyl]-3,5,6,7,8,8a-hexahydro-1H-imidazo[1,5-a]pyridine
CID 10571609
[3-[4-(3-chlorophenyl)piperazin-1-yl]piperidin-1-yl]-(1-ethylpiperidin-4-yl)methanone
CID 45228263
(1-aminocyclopropyl)-[(3R)-3-[4-(3-chlorophenyl)piperazin-1-yl]piperidin-1-yl]methanone
CID 95719083

Frequently Asked Questions

What is the IUPAC name of 3-[[3-[4-(3-chlorophenyl)piperazin-1-yl]piperidin-1-yl]methyl]-1,2-oxazole?
The IUPAC name of 3-[[3-[4-(3-chlorophenyl)piperazin-1-yl]piperidin-1-yl]methyl]-1,2-oxazole (CID 45207862) is 3-[[3-[4-(3-chlorophenyl)piperazin-1-yl]piperidin-1-yl]methyl]-1,2-oxazole.
What is the SMILES notation for 3-[[3-[4-(3-chlorophenyl)piperazin-1-yl]piperidin-1-yl]methyl]-1,2-oxazole?
The canonical SMILES for 3-[[3-[4-(3-chlorophenyl)piperazin-1-yl]piperidin-1-yl]methyl]-1,2-oxazole is Clc1cccc(N2CCN(C3CCCN(Cc4ccon4)C3)CC2)c1.
What is the InChIKey of 3-[[3-[4-(3-chlorophenyl)piperazin-1-yl]piperidin-1-yl]methyl]-1,2-oxazole?
The InChIKey is BMCKKWNFSLZKHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25ClN4O/c20-16-3-1-4-18(13-16)23-8-10-24(11-9-23)19-5-2-7-22(15-19)14-17-6-12-25-21-17/h1,3-4,6,12-13,19H,2,5,7-11,14-15H2.
What are the key properties of 3-[[3-[4-(3-chlorophenyl)piperazin-1-yl]piperidin-1-yl]methyl]-1,2-oxazole?
3-[[3-[4-(3-chlorophenyl)piperazin-1-yl]piperidin-1-yl]methyl]-1,2-oxazole has a molecular weight of 360.89 g/mol, XLogP of 3.11, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-[4-(3-chlorophenyl)piperazin-1-yl]piperidin-1-yl]methyl]-1,2-oxazole is sourced from PubChem (CID 45207862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).