3-(5-methyl-2-phenyl-1,3-oxazol-4-yl)-2,5-diphenylcyclohex-2-en-1-one

C28H23NO2 — CID 102368110

IUPAC3-(5-methyl-2-phenyl-1,3-oxazol-4-yl)-2,5-diphenylcyclohex-2-en-1-one
SMILESCc1oc(-c2ccccc2)nc1C1=C(c2ccccc2)C(=O)CC(c2ccccc2)C1
InChIInChI=1S/C28H23NO2/c1-19-27(29-28(31-19)22-15-9-4-10-16-22)24-17-23(20-11-5-2-6-12-20)18-25(30)26(24)21-13-7-3-8-14-21/h2-16,23H,17-18H2,1H3
InChIKeyQPXXCKVQAXICPN-UHFFFAOYSA-N
MW405.50 g/mol
LogP6.71
Rot. Bonds4

About 3-(5-methyl-2-phenyl-1,3-oxazol-4-yl)-2,5-diphenylcyclohex-2-en-1-one

3-(5-methyl-2-phenyl-1,3-oxazol-4-yl)-2,5-diphenylcyclohex-2-en-1-one (PubChem CID 102368110) has the molecular formula C28H23NO2 and a molecular weight of 405.50 g/mol. Its IUPAC name is 3-(5-methyl-2-phenyl-1,3-oxazol-4-yl)-2,5-diphenylcyclohex-2-en-1-one.

Molecular Properties

Compound Name3-(5-methyl-2-phenyl-1,3-oxazol-4-yl)-2,5-diphenylcyclohex-2-en-1-one
PubChem CID102368110
Molecular FormulaC28H23NO2
Molecular Weight405.50 g/mol
Exact Mass405.17
IUPAC Name3-(5-methyl-2-phenyl-1,3-oxazol-4-yl)-2,5-diphenylcyclohex-2-en-1-one
SMILESCc1oc(-c2ccccc2)nc1C1=C(c2ccccc2)C(=O)CC(c2ccccc2)C1
InChIInChI=1S/C28H23NO2/c1-19-27(29-28(31-19)22-15-9-4-10-16-22)24-17-23(20-11-5-2-6-12-20)18-25(30)26(24)21-13-7-3-8-14-21/h2-16,23H,17-18H2,1H3
InChIKeyQPXXCKVQAXICPN-UHFFFAOYSA-N
XLogP6.71
TPSA43.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.50
LogP ≤ 56.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2,5-dimethylthiophen-3-yl)-3-(5-methyl-2-phenyl-1,3-oxazol-4-yl)-2H-furan-5-one
CID 155884566
2-(2,5-diphenyl-1,3-oxazol-4-yl)-3-methylcyclohex-2-en-1-one
CID 162398173
5-methyl-4-naphthalen-1-yl-2-phenyl-1,3-oxazole
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CID 788400
4-[2-(2,5-dimethylthiophen-3-yl)cyclopenten-1-yl]-5-methyl-2-phenyl-1,3-oxazole
CID 132991995
5-methyl-2-phenyl-4-piperidin-4-yl-1,3-oxazole
CID 115044754
(5-methyl-2-phenyl-1,3-oxazol-4-yl)methanamine
CID 15616431
5-methyl-2,6-diphenyl-1,3-oxazin-4-one
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2-methylidene-5-phenylcyclohexane-1,3-dione
CID 54567672
ethane;methanesulfonic acid;5-methyl-2-phenyl-1,3-oxazol-4-ol
CID 87970462
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CID 141154805

Frequently Asked Questions

What is the IUPAC name of 3-(5-methyl-2-phenyl-1,3-oxazol-4-yl)-2,5-diphenylcyclohex-2-en-1-one?
The IUPAC name of 3-(5-methyl-2-phenyl-1,3-oxazol-4-yl)-2,5-diphenylcyclohex-2-en-1-one (CID 102368110) is 3-(5-methyl-2-phenyl-1,3-oxazol-4-yl)-2,5-diphenylcyclohex-2-en-1-one.
What is the SMILES notation for 3-(5-methyl-2-phenyl-1,3-oxazol-4-yl)-2,5-diphenylcyclohex-2-en-1-one?
The canonical SMILES for 3-(5-methyl-2-phenyl-1,3-oxazol-4-yl)-2,5-diphenylcyclohex-2-en-1-one is Cc1oc(-c2ccccc2)nc1C1=C(c2ccccc2)C(=O)CC(c2ccccc2)C1.
What is the InChIKey of 3-(5-methyl-2-phenyl-1,3-oxazol-4-yl)-2,5-diphenylcyclohex-2-en-1-one?
The InChIKey is QPXXCKVQAXICPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H23NO2/c1-19-27(29-28(31-19)22-15-9-4-10-16-22)24-17-23(20-11-5-2-6-12-20)18-25(30)26(24)21-13-7-3-8-14-21/h2-16,23H,17-18H2,1H3.
What are the key properties of 3-(5-methyl-2-phenyl-1,3-oxazol-4-yl)-2,5-diphenylcyclohex-2-en-1-one?
3-(5-methyl-2-phenyl-1,3-oxazol-4-yl)-2,5-diphenylcyclohex-2-en-1-one has a molecular weight of 405.50 g/mol, XLogP of 6.71, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-methyl-2-phenyl-1,3-oxazol-4-yl)-2,5-diphenylcyclohex-2-en-1-one is sourced from PubChem (CID 102368110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).