3-[3-[1-[(3-chlorophenyl)methyl]-3,6-dihydro-2H-pyridin-4-yl]-1,2,4-oxadiazol-5-yl]-N-(4-fluorophenyl)propanamide

C23H22ClFN4O2 — CID 46358211

IUPAC3-[3-[1-[(3-chlorophenyl)methyl]-3,6-dihydro-2H-pyridin-4-yl]-1,2,4-oxadiazol-5-yl]-N-(4-fluorophenyl)propanamide
SMILESO=C(CCc1nc(C2=CCN(Cc3cccc(Cl)c3)CC2)no1)Nc1ccc(F)cc1
InChIInChI=1S/C23H22ClFN4O2/c24-18-3-1-2-16(14-18)15-29-12-10-17(11-13-29)23-27-22(31-28-23)9-8-21(30)26-20-6-4-19(25)5-7-20/h1-7,10,14H,8-9,11-13,15H2,(H,26,30)
InChIKeyAPPOUZGKYRRVTP-UHFFFAOYSA-N
MW440.91 g/mol
LogP4.72
Rot. Bonds7

About 3-[3-[1-[(3-chlorophenyl)methyl]-3,6-dihydro-2H-pyridin-4-yl]-1,2,4-oxadiazol-5-yl]-N-(4-fluorophenyl)propanamide

3-[3-[1-[(3-chlorophenyl)methyl]-3,6-dihydro-2H-pyridin-4-yl]-1,2,4-oxadiazol-5-yl]-N-(4-fluorophenyl)propanamide (PubChem CID 46358211) has the molecular formula C23H22ClFN4O2 and a molecular weight of 440.91 g/mol. Its IUPAC name is 3-[3-[1-[(3-chlorophenyl)methyl]-3,6-dihydro-2H-pyridin-4-yl]-1,2,4-oxadiazol-5-yl]-N-(4-fluorophenyl)propanamide.

Molecular Properties

Compound Name3-[3-[1-[(3-chlorophenyl)methyl]-3,6-dihydro-2H-pyridin-4-yl]-1,2,4-oxadiazol-5-yl]-N-(4-fluorophenyl)propanamide
PubChem CID46358211
Molecular FormulaC23H22ClFN4O2
Molecular Weight440.91 g/mol
Exact Mass440.14
IUPAC Name3-[3-[1-[(3-chlorophenyl)methyl]-3,6-dihydro-2H-pyridin-4-yl]-1,2,4-oxadiazol-5-yl]-N-(4-fluorophenyl)propanamide
SMILESO=C(CCc1nc(C2=CCN(Cc3cccc(Cl)c3)CC2)no1)Nc1ccc(F)cc1
InChIInChI=1S/C23H22ClFN4O2/c24-18-3-1-2-16(14-18)15-29-12-10-17(11-13-29)23-27-22(31-28-23)9-8-21(30)26-20-6-4-19(25)5-7-20/h1-7,10,14H,8-9,11-13,15H2,(H,26,30)
InChIKeyAPPOUZGKYRRVTP-UHFFFAOYSA-N
XLogP4.72
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.91
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2S)-butan-2-yl]-3-[3-[1-[(3-chlorophenyl)methyl]-3,6-dihydro-2H-pyridin-4-yl]-1,2,4-oxadiazol-5-yl]propanamide
CID 92713675
3-[3-[1-[(4-chlorophenyl)methyl]-3,6-dihydro-2H-pyridin-4-yl]-1,2,4-oxadiazol-5-yl]-N-(3-fluoro-4-methylphenyl)propanamide
CID 46358218
3-[3-[1-[(4-chlorophenyl)methyl]-3,6-dihydro-2H-pyridin-4-yl]-1,2,4-oxadiazol-5-yl]-N-(4-methoxyphenyl)propanamide
CID 22581192
N-[(4-chlorophenyl)methyl]-3-[3-[1-[(4-chlorophenyl)methyl]-3,6-dihydro-2H-pyridin-4-yl]-1,2,4-oxadiazol-5-yl]propanamide
CID 22581193
3-[3-[1-[(4-chlorophenyl)methyl]-3,6-dihydro-2H-pyridin-4-yl]-1,2,4-oxadiazol-5-yl]-N-[(3-methoxyphenyl)methyl]propanamide
CID 46358254
N-(1,3-benzodioxol-5-ylmethyl)-3-[3-[1-[(4-chlorophenyl)methyl]-3,6-dihydro-2H-pyridin-4-yl]-1,2,4-oxadiazol-5-yl]propanamide
CID 46358243
3-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1,2,4-oxadiazol-5-yl]-N-(3-methylphenyl)propanamide
CID 46358209
3-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(4-fluorophenyl)propanamide
CID 17101530
N-[2-(3-chlorophenyl)ethyl]-3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 27838881
3-[3-[1-[(4-chlorophenyl)methyl]-3,6-dihydro-2H-pyridin-4-yl]-1,2,4-oxadiazol-5-yl]-1-(3,4-dihydro-2H-quinolin-1-yl)propan-1-one
CID 46358224
N-(4-fluorophenyl)-3-[3-(4-phenylphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 100762327
3-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1,2,4-oxadiazol-5-yl]-N-(6-methyl-2-pyridinyl)propanamide
CID 22515089

Frequently Asked Questions

What is the IUPAC name of 3-[3-[1-[(3-chlorophenyl)methyl]-3,6-dihydro-2H-pyridin-4-yl]-1,2,4-oxadiazol-5-yl]-N-(4-fluorophenyl)propanamide?
The IUPAC name of 3-[3-[1-[(3-chlorophenyl)methyl]-3,6-dihydro-2H-pyridin-4-yl]-1,2,4-oxadiazol-5-yl]-N-(4-fluorophenyl)propanamide (CID 46358211) is 3-[3-[1-[(3-chlorophenyl)methyl]-3,6-dihydro-2H-pyridin-4-yl]-1,2,4-oxadiazol-5-yl]-N-(4-fluorophenyl)propanamide.
What is the SMILES notation for 3-[3-[1-[(3-chlorophenyl)methyl]-3,6-dihydro-2H-pyridin-4-yl]-1,2,4-oxadiazol-5-yl]-N-(4-fluorophenyl)propanamide?
The canonical SMILES for 3-[3-[1-[(3-chlorophenyl)methyl]-3,6-dihydro-2H-pyridin-4-yl]-1,2,4-oxadiazol-5-yl]-N-(4-fluorophenyl)propanamide is O=C(CCc1nc(C2=CCN(Cc3cccc(Cl)c3)CC2)no1)Nc1ccc(F)cc1.
What is the InChIKey of 3-[3-[1-[(3-chlorophenyl)methyl]-3,6-dihydro-2H-pyridin-4-yl]-1,2,4-oxadiazol-5-yl]-N-(4-fluorophenyl)propanamide?
The InChIKey is APPOUZGKYRRVTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22ClFN4O2/c24-18-3-1-2-16(14-18)15-29-12-10-17(11-13-29)23-27-22(31-28-23)9-8-21(30)26-20-6-4-19(25)5-7-20/h1-7,10,14H,8-9,11-13,15H2,(H,26,30).
What are the key properties of 3-[3-[1-[(3-chlorophenyl)methyl]-3,6-dihydro-2H-pyridin-4-yl]-1,2,4-oxadiazol-5-yl]-N-(4-fluorophenyl)propanamide?
3-[3-[1-[(3-chlorophenyl)methyl]-3,6-dihydro-2H-pyridin-4-yl]-1,2,4-oxadiazol-5-yl]-N-(4-fluorophenyl)propanamide has a molecular weight of 440.91 g/mol, XLogP of 4.72, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[1-[(3-chlorophenyl)methyl]-3,6-dihydro-2H-pyridin-4-yl]-1,2,4-oxadiazol-5-yl]-N-(4-fluorophenyl)propanamide is sourced from PubChem (CID 46358211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).