methyl 1-[[3-(2,4-dichlorophenyl)-1,2-oxazol-5-yl]methyl]piperidine-2-carboxylate

C17H18Cl2N2O3 — CID 43037481

IUPACmethyl 1-[[3-(2,4-dichlorophenyl)-1,2-oxazol-5-yl]methyl]piperidine-2-carboxylate
SMILESCOC(=O)C1CCCCN1Cc1cc(-c2ccc(Cl)cc2Cl)no1
InChIInChI=1S/C17H18Cl2N2O3/c1-23-17(22)16-4-2-3-7-21(16)10-12-9-15(20-24-12)13-6-5-11(18)8-14(13)19/h5-6,8-9,16H,2-4,7,10H2,1H3
InChIKeyWYHCWEDPEGUXGG-UHFFFAOYSA-N
MW369.25 g/mol
LogP4.18
Rot. Bonds4

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

methyl 1-[[3-(2,4-dichlorophenyl)-1,2-oxazol-5-yl]methyl]piperidine-2-carboxylate (PubChem CID 43037481) has the molecular formula C17H18Cl2N2O3 and a molecular weight of 369.25 g/mol. Its IUPAC name is methyl 1-[[3-(2,4-dichlorophenyl)-1,2-oxazol-5-yl]methyl]piperidine-2-carboxylate.

Molecular Properties

Compound Namemethyl 1-[[3-(2,4-dichlorophenyl)-1,2-oxazol-5-yl]methyl]piperidine-2-carboxylate
PubChem CID43037481
Molecular FormulaC17H18Cl2N2O3
Molecular Weight369.25 g/mol
Exact Mass368.07
IUPAC Namemethyl 1-[[3-(2,4-dichlorophenyl)-1,2-oxazol-5-yl]methyl]piperidine-2-carboxylate
SMILESCOC(=O)C1CCCCN1Cc1cc(-c2ccc(Cl)cc2Cl)no1
InChIInChI=1S/C17H18Cl2N2O3/c1-23-17(22)16-4-2-3-7-21(16)10-12-9-15(20-24-12)13-6-5-11(18)8-14(13)19/h5-6,8-9,16H,2-4,7,10H2,1H3
InChIKeyWYHCWEDPEGUXGG-UHFFFAOYSA-N
XLogP4.18
TPSA55.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.25
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 1-[[3-(2,4-dichlorophenyl)-1,2-oxazol-5-yl]methyl]piperidine-2-carboxylate?
The IUPAC name of methyl 1-[[3-(2,4-dichlorophenyl)-1,2-oxazol-5-yl]methyl]piperidine-2-carboxylate (CID 43037481) is methyl 1-[[3-(2,4-dichlorophenyl)-1,2-oxazol-5-yl]methyl]piperidine-2-carboxylate.
What is the SMILES notation for methyl 1-[[3-(2,4-dichlorophenyl)-1,2-oxazol-5-yl]methyl]piperidine-2-carboxylate?
The canonical SMILES for methyl 1-[[3-(2,4-dichlorophenyl)-1,2-oxazol-5-yl]methyl]piperidine-2-carboxylate is COC(=O)C1CCCCN1Cc1cc(-c2ccc(Cl)cc2Cl)no1.
What is the InChIKey of methyl 1-[[3-(2,4-dichlorophenyl)-1,2-oxazol-5-yl]methyl]piperidine-2-carboxylate?
The InChIKey is WYHCWEDPEGUXGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18Cl2N2O3/c1-23-17(22)16-4-2-3-7-21(16)10-12-9-15(20-24-12)13-6-5-11(18)8-14(13)19/h5-6,8-9,16H,2-4,7,10H2,1H3.
What are the key properties of methyl 1-[[3-(2,4-dichlorophenyl)-1,2-oxazol-5-yl]methyl]piperidine-2-carboxylate?
methyl 1-[[3-(2,4-dichlorophenyl)-1,2-oxazol-5-yl]methyl]piperidine-2-carboxylate has a molecular weight of 369.25 g/mol, XLogP of 4.18, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[[3-(2,4-dichlorophenyl)-1,2-oxazol-5-yl]methyl]piperidine-2-carboxylate is sourced from PubChem (CID 43037481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).