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

C29H26N2O2 — CID 18271632

IUPAC3-(4,5-diphenyl-1,3-oxazol-2-yl)-1-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)propan-1-one
SMILESO=C(CCc1nc(-c2ccccc2)c(-c2ccccc2)o1)N1CC=C(c2ccccc2)CC1
InChIInChI=1S/C29H26N2O2/c32-27(31-20-18-23(19-21-31)22-10-4-1-5-11-22)17-16-26-30-28(24-12-6-2-7-13-24)29(33-26)25-14-8-3-9-15-25/h1-15,18H,16-17,19-21H2
InChIKeyBXHQHGCWZGRYKU-UHFFFAOYSA-N
MW434.54 g/mol
LogP6.26
Rot. Bonds6

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

3-(4,5-diphenyl-1,3-oxazol-2-yl)-1-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)propan-1-one (PubChem CID 18271632) has the molecular formula C29H26N2O2 and a molecular weight of 434.54 g/mol. Its IUPAC name is 3-(4,5-diphenyl-1,3-oxazol-2-yl)-1-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)propan-1-one.

Molecular Properties

Compound Name3-(4,5-diphenyl-1,3-oxazol-2-yl)-1-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)propan-1-one
PubChem CID18271632
Molecular FormulaC29H26N2O2
Molecular Weight434.54 g/mol
Exact Mass434.20
IUPAC Name3-(4,5-diphenyl-1,3-oxazol-2-yl)-1-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)propan-1-one
SMILESO=C(CCc1nc(-c2ccccc2)c(-c2ccccc2)o1)N1CC=C(c2ccccc2)CC1
InChIInChI=1S/C29H26N2O2/c32-27(31-20-18-23(19-21-31)22-10-4-1-5-11-22)17-16-26-30-28(24-12-6-2-7-13-24)29(33-26)25-14-8-3-9-15-25/h1-15,18H,16-17,19-21H2
InChIKeyBXHQHGCWZGRYKU-UHFFFAOYSA-N
XLogP6.26
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.54
LogP ≤ 56.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-1-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)propan-1-one
CID 134011469
3-(4,5-diphenyl-1,3-oxazol-2-yl)propanoic acid
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4-(4,5-diphenyl-1,3-oxazol-2-yl)butan-2-one;ethane
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3-[3-oxo-3-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)propyl]-1,4-dihydro-1,2,4-triazol-5-one
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2-[4-[3-(4,5-diphenyl-1,3-oxazol-2-yl)propanoyl]-1,4-diazepan-1-yl]-N-ethylacetamide
CID 52710834
3-(4,5-diphenyl-1,3-oxazol-2-yl)propanoic acid;2-hydroxybenzoic acid
CID 174802507
3-(4,5-diphenyl-1,3-oxazol-2-yl)-1-[3-ethyl-4-(2-methoxyethyl)piperazin-1-yl]propan-1-one
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Frequently Asked Questions

What is the IUPAC name of 3-(4,5-diphenyl-1,3-oxazol-2-yl)-1-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)propan-1-one?
The IUPAC name of 3-(4,5-diphenyl-1,3-oxazol-2-yl)-1-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)propan-1-one (CID 18271632) is 3-(4,5-diphenyl-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-(4,5-diphenyl-1,3-oxazol-2-yl)-1-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)propan-1-one?
The canonical SMILES for 3-(4,5-diphenyl-1,3-oxazol-2-yl)-1-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)propan-1-one is O=C(CCc1nc(-c2ccccc2)c(-c2ccccc2)o1)N1CC=C(c2ccccc2)CC1.
What is the InChIKey of 3-(4,5-diphenyl-1,3-oxazol-2-yl)-1-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)propan-1-one?
The InChIKey is BXHQHGCWZGRYKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H26N2O2/c32-27(31-20-18-23(19-21-31)22-10-4-1-5-11-22)17-16-26-30-28(24-12-6-2-7-13-24)29(33-26)25-14-8-3-9-15-25/h1-15,18H,16-17,19-21H2.
What are the key properties of 3-(4,5-diphenyl-1,3-oxazol-2-yl)-1-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)propan-1-one?
3-(4,5-diphenyl-1,3-oxazol-2-yl)-1-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)propan-1-one has a molecular weight of 434.54 g/mol, XLogP of 6.26, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4,5-diphenyl-1,3-oxazol-2-yl)-1-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)propan-1-one is sourced from PubChem (CID 18271632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).