methyl 1-[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-3,6-dihydro-2H-pyridine-5-carboxylate

C17H18ClN3O3 — CID 125421943

IUPACmethyl 1-[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-3,6-dihydro-2H-pyridine-5-carboxylate
SMILESCOC(=O)C1=CCCN(CCc2nc(-c3ccc(Cl)cc3)no2)C1
InChIInChI=1S/C17H18ClN3O3/c1-23-17(22)13-3-2-9-21(11-13)10-8-15-19-16(20-24-15)12-4-6-14(18)7-5-12/h3-7H,2,8-11H2,1H3
InChIKeyUZIFPRWPYUJOTD-UHFFFAOYSA-N
MW347.80 g/mol
LogP2.74
Rot. Bonds5

About methyl 1-[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-3,6-dihydro-2H-pyridine-5-carboxylate

methyl 1-[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-3,6-dihydro-2H-pyridine-5-carboxylate (PubChem CID 125421943) has the molecular formula C17H18ClN3O3 and a molecular weight of 347.80 g/mol. Its IUPAC name is methyl 1-[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-3,6-dihydro-2H-pyridine-5-carboxylate.

Molecular Properties

Compound Namemethyl 1-[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-3,6-dihydro-2H-pyridine-5-carboxylate
PubChem CID125421943
Molecular FormulaC17H18ClN3O3
Molecular Weight347.80 g/mol
Exact Mass347.10
IUPAC Namemethyl 1-[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-3,6-dihydro-2H-pyridine-5-carboxylate
SMILESCOC(=O)C1=CCCN(CCc2nc(-c3ccc(Cl)cc3)no2)C1
InChIInChI=1S/C17H18ClN3O3/c1-23-17(22)13-3-2-9-21(11-13)10-8-15-19-16(20-24-15)12-4-6-14(18)7-5-12/h3-7H,2,8-11H2,1H3
InChIKeyUZIFPRWPYUJOTD-UHFFFAOYSA-N
XLogP2.74
TPSA68.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.80
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze methyl 1-[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-3,6-dihydro-2H-pyridine-5-carboxylate with MolForge

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Related Compounds

1-(4-chlorophenyl)-3-[4-[5-(2-piperidin-1-ylethyl)-1,2,4-oxadiazol-3-yl]phenyl]urea
CID 25222228
2-O-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl] 1-O-methyl benzene-1,2-dicarboxylate
CID 56504722
(2R)-N-[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-2,4-dimethyl-3-oxopiperazine-1-carboxamide
CID 124618769
1-(azepan-1-yl)-3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]propan-1-one
CID 9036823
methyl 4-[5-(azocan-1-ylmethyl)-1,2,4-oxadiazol-3-yl]benzoate
CID 42244095
[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl 1-methylpyrazole-4-carboxylate
CID 40767451
5-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]pentan-2-one
CID 58335940
3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-1-[4-(methylaminomethyl)piperidin-1-yl]propan-1-one
CID 119543211
4-[3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]propyl]morpholine
CID 154393200
(4-chlorophenyl) 3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanoate
CID 24592474
N-(4-chlorophenyl)-3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 3422358
3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-1-(3,5-dimethylpiperidin-1-yl)propan-1-one
CID 51218802

Frequently Asked Questions

What is the IUPAC name of methyl 1-[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-3,6-dihydro-2H-pyridine-5-carboxylate?
The IUPAC name of methyl 1-[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-3,6-dihydro-2H-pyridine-5-carboxylate (CID 125421943) is methyl 1-[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-3,6-dihydro-2H-pyridine-5-carboxylate.
What is the SMILES notation for methyl 1-[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-3,6-dihydro-2H-pyridine-5-carboxylate?
The canonical SMILES for methyl 1-[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-3,6-dihydro-2H-pyridine-5-carboxylate is COC(=O)C1=CCCN(CCc2nc(-c3ccc(Cl)cc3)no2)C1.
What is the InChIKey of methyl 1-[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-3,6-dihydro-2H-pyridine-5-carboxylate?
The InChIKey is UZIFPRWPYUJOTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClN3O3/c1-23-17(22)13-3-2-9-21(11-13)10-8-15-19-16(20-24-15)12-4-6-14(18)7-5-12/h3-7H,2,8-11H2,1H3.
What are the key properties of methyl 1-[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-3,6-dihydro-2H-pyridine-5-carboxylate?
methyl 1-[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-3,6-dihydro-2H-pyridine-5-carboxylate has a molecular weight of 347.80 g/mol, XLogP of 2.74, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-3,6-dihydro-2H-pyridine-5-carboxylate is sourced from PubChem (CID 125421943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).