5-(3,4-dichlorophenyl)-3-(piperidin-1-ylmethyl)-1,2-oxazole

C15H16Cl2N2O — CID 1481099

IUPAC5-(3,4-dichlorophenyl)-3-(piperidin-1-ylmethyl)-1,2-oxazole
SMILESClc1ccc(-c2cc(CN3CCCCC3)no2)cc1Cl
InChIInChI=1S/C15H16Cl2N2O/c16-13-5-4-11(8-14(13)17)15-9-12(18-20-15)10-19-6-2-1-3-7-19/h4-5,8-9H,1-3,6-7,10H2
InChIKeyMIMHMLBEMDVDSD-UHFFFAOYSA-N
MW311.21 g/mol
LogP4.63
Rot. Bonds3

About 5-(3,4-dichlorophenyl)-3-(piperidin-1-ylmethyl)-1,2-oxazole

5-(3,4-dichlorophenyl)-3-(piperidin-1-ylmethyl)-1,2-oxazole (PubChem CID 1481099) has the molecular formula C15H16Cl2N2O and a molecular weight of 311.21 g/mol. Its IUPAC name is 5-(3,4-dichlorophenyl)-3-(piperidin-1-ylmethyl)-1,2-oxazole.

Molecular Properties

Compound Name5-(3,4-dichlorophenyl)-3-(piperidin-1-ylmethyl)-1,2-oxazole
PubChem CID1481099
Molecular FormulaC15H16Cl2N2O
Molecular Weight311.21 g/mol
Exact Mass310.06
IUPAC Name5-(3,4-dichlorophenyl)-3-(piperidin-1-ylmethyl)-1,2-oxazole
SMILESClc1ccc(-c2cc(CN3CCCCC3)no2)cc1Cl
InChIInChI=1S/C15H16Cl2N2O/c16-13-5-4-11(8-14(13)17)15-9-12(18-20-15)10-19-6-2-1-3-7-19/h4-5,8-9H,1-3,6-7,10H2
InChIKeyMIMHMLBEMDVDSD-UHFFFAOYSA-N
XLogP4.63
TPSA29.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.21
LogP ≤ 54.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

L 741742
CID 133008
5-(4-chlorophenyl)-N-[3-(diethylamino)propyl]-1,2-oxazole-3-carboxamide
CID 3243805
Azepan-1-yl-[5-(2,4-dichloro-phenyl)-isoxazol-3-yl]-methanone
CID 1093827
5-(4-Chlorophenyl)isoxazol-3-yl 4-phenylpiperazinyl ketone
CID 17252726
[5-(2,4-Dichloro-phenyl)-isoxazol-3-yl]-pyrrolidin-1-yl-methanone
CID 1093829
4-{[5-(4-Chlorophenyl)-3-isoxazolyl]methyl}morpholine
CID 1481105
[5-(4-Chlorophenyl)-1,2-oxazol-3-yl]-pyrrolidin-1-ylmethanone
CID 4073195
5-(4-chlorophenyl)-N-cyclohexyl-3-isoxazolecarboxamide
CID 17252724
5-(3-Chlorophenyl)isoxazol-3-yl morpholin-4-yl ketone
CID 17252967
(5-(4-Chlorophenyl)isoxazol-3-yl)(morpholino)methanone
CID 3242114
4-[3-(4-Chloro-phenyl)-4-methyl-isoxazol-5-yl]-1-phenethyl-piperidine
CID 5029739
5-(3,4-Dichlorophenyl)isoxazol-3-yl morpholin-4-yl ketone
CID 5054584

Frequently Asked Questions

What is the IUPAC name of 5-(3,4-dichlorophenyl)-3-(piperidin-1-ylmethyl)-1,2-oxazole?
The IUPAC name of 5-(3,4-dichlorophenyl)-3-(piperidin-1-ylmethyl)-1,2-oxazole (CID 1481099) is 5-(3,4-dichlorophenyl)-3-(piperidin-1-ylmethyl)-1,2-oxazole.
What is the SMILES notation for 5-(3,4-dichlorophenyl)-3-(piperidin-1-ylmethyl)-1,2-oxazole?
The canonical SMILES for 5-(3,4-dichlorophenyl)-3-(piperidin-1-ylmethyl)-1,2-oxazole is Clc1ccc(-c2cc(CN3CCCCC3)no2)cc1Cl.
What is the InChIKey of 5-(3,4-dichlorophenyl)-3-(piperidin-1-ylmethyl)-1,2-oxazole?
The InChIKey is MIMHMLBEMDVDSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16Cl2N2O/c16-13-5-4-11(8-14(13)17)15-9-12(18-20-15)10-19-6-2-1-3-7-19/h4-5,8-9H,1-3,6-7,10H2.
What are the key properties of 5-(3,4-dichlorophenyl)-3-(piperidin-1-ylmethyl)-1,2-oxazole?
5-(3,4-dichlorophenyl)-3-(piperidin-1-ylmethyl)-1,2-oxazole has a molecular weight of 311.21 g/mol, XLogP of 4.63, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,4-dichlorophenyl)-3-(piperidin-1-ylmethyl)-1,2-oxazole is sourced from PubChem (CID 1481099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).