3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-1-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)propan-1-one

C23H21ClN2O2 — CID 134011469

IUPAC3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-1-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)propan-1-one
SMILESO=C(CCc1ncc(-c2ccccc2Cl)o1)N1CC=C(c2ccccc2)CC1
InChIInChI=1S/C23H21ClN2O2/c24-20-9-5-4-8-19(20)21-16-25-22(28-21)10-11-23(27)26-14-12-18(13-15-26)17-6-2-1-3-7-17/h1-9,12,16H,10-11,13-15H2
InChIKeyUQMJUYQYHCSGMY-UHFFFAOYSA-N
MW392.89 g/mol
LogP5.24
Rot. Bonds5

About 3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-1-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)propan-1-one

3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-1-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)propan-1-one (PubChem CID 134011469) has the molecular formula C23H21ClN2O2 and a molecular weight of 392.89 g/mol. Its IUPAC name is 3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-1-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)propan-1-one.

Molecular Properties

Compound Name3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-1-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)propan-1-one
PubChem CID134011469
Molecular FormulaC23H21ClN2O2
Molecular Weight392.89 g/mol
Exact Mass392.13
IUPAC Name3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-1-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)propan-1-one
SMILESO=C(CCc1ncc(-c2ccccc2Cl)o1)N1CC=C(c2ccccc2)CC1
InChIInChI=1S/C23H21ClN2O2/c24-20-9-5-4-8-19(20)21-16-25-22(28-21)10-11-23(27)26-14-12-18(13-15-26)17-6-2-1-3-7-17/h1-9,12,16H,10-11,13-15H2
InChIKeyUQMJUYQYHCSGMY-UHFFFAOYSA-N
XLogP5.24
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.89
LogP ≤ 55.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-1-[4-(2-chlorophenyl)piperazin-1-yl]propan-1-one
CID 16596687
3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-1-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]propan-1-one
CID 24608161
3-(4,5-diphenyl-1,3-oxazol-2-yl)-1-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)propan-1-one
CID 18271632
3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-1-[3-(methylamino)piperidin-1-yl]propan-1-one
CID 119488208
3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-1-[4-(methylaminomethyl)piperidin-1-yl]propan-1-one;dihydrochloride
CID 119543119
1-[3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]propanoyl]-N-phenylpiperidine-3-carboxamide
CID 18138431
1-[2-(aminomethyl)piperidin-1-yl]-3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]propan-1-one
CID 119466552
1-[2-(aminomethyl)piperidin-1-yl]-3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]propan-1-one;dihydrochloride
CID 119466551
3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-1-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-yl]propan-1-one
CID 37211580
3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-1-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]propan-1-one
CID 30889557
1-[(2R)-4-benzyl-2-ethylpiperazin-1-yl]-3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]propan-1-one
CID 95782150
2-chloro-N-[3-oxo-3-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)propyl]benzamide
CID 18129615

Frequently Asked Questions

What is the IUPAC name of 3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-1-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)propan-1-one?
The IUPAC name of 3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-1-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)propan-1-one (CID 134011469) is 3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-1-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)propan-1-one.
What is the SMILES notation for 3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-1-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)propan-1-one?
The canonical SMILES for 3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-1-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)propan-1-one is O=C(CCc1ncc(-c2ccccc2Cl)o1)N1CC=C(c2ccccc2)CC1.
What is the InChIKey of 3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-1-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)propan-1-one?
The InChIKey is UQMJUYQYHCSGMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21ClN2O2/c24-20-9-5-4-8-19(20)21-16-25-22(28-21)10-11-23(27)26-14-12-18(13-15-26)17-6-2-1-3-7-17/h1-9,12,16H,10-11,13-15H2.
What are the key properties of 3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-1-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)propan-1-one?
3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-1-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)propan-1-one has a molecular weight of 392.89 g/mol, XLogP of 5.24, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-1-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)propan-1-one is sourced from PubChem (CID 134011469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).