2-(2-cyclohexa-1,5-dien-1-yl-1,3-oxazol-4-yl)-1,3-bis(4-methylphenyl)propan-2-ol

C26H27NO2 — CID 146462269

IUPAC2-(2-cyclohexa-1,5-dien-1-yl-1,3-oxazol-4-yl)-1,3-bis(4-methylphenyl)propan-2-ol
SMILESCc1ccc(CC(O)(Cc2ccc(C)cc2)c2coc(C3=CCCC=C3)n2)cc1
InChIInChI=1S/C26H27NO2/c1-19-8-12-21(13-9-19)16-26(28,17-22-14-10-20(2)11-15-22)24-18-29-25(27-24)23-6-4-3-5-7-23/h4,6-15,18,28H,3,5,16-17H2,1-2H3
InChIKeyHCIZSCRWWNSRIJ-UHFFFAOYSA-N
MW385.51 g/mol
LogP5.70
Rot. Bonds6

About 2-(2-cyclohexa-1,5-dien-1-yl-1,3-oxazol-4-yl)-1,3-bis(4-methylphenyl)propan-2-ol

2-(2-cyclohexa-1,5-dien-1-yl-1,3-oxazol-4-yl)-1,3-bis(4-methylphenyl)propan-2-ol (PubChem CID 146462269) has the molecular formula C26H27NO2 and a molecular weight of 385.51 g/mol. Its IUPAC name is 2-(2-cyclohexa-1,5-dien-1-yl-1,3-oxazol-4-yl)-1,3-bis(4-methylphenyl)propan-2-ol.

Molecular Properties

Compound Name2-(2-cyclohexa-1,5-dien-1-yl-1,3-oxazol-4-yl)-1,3-bis(4-methylphenyl)propan-2-ol
PubChem CID146462269
Molecular FormulaC26H27NO2
Molecular Weight385.51 g/mol
Exact Mass385.20
IUPAC Name2-(2-cyclohexa-1,5-dien-1-yl-1,3-oxazol-4-yl)-1,3-bis(4-methylphenyl)propan-2-ol
SMILESCc1ccc(CC(O)(Cc2ccc(C)cc2)c2coc(C3=CCCC=C3)n2)cc1
InChIInChI=1S/C26H27NO2/c1-19-8-12-21(13-9-19)16-26(28,17-22-14-10-20(2)11-15-22)24-18-29-25(27-24)23-6-4-3-5-7-23/h4,6-15,18,28H,3,5,16-17H2,1-2H3
InChIKeyHCIZSCRWWNSRIJ-UHFFFAOYSA-N
XLogP5.70
TPSA46.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.51
LogP ≤ 55.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-cyclohexa-1,5-dien-1-yl-1,3-oxazol-4-yl)-1,3-bis(4-methylphenyl)propan-2-ol?
The IUPAC name of 2-(2-cyclohexa-1,5-dien-1-yl-1,3-oxazol-4-yl)-1,3-bis(4-methylphenyl)propan-2-ol (CID 146462269) is 2-(2-cyclohexa-1,5-dien-1-yl-1,3-oxazol-4-yl)-1,3-bis(4-methylphenyl)propan-2-ol.
What is the SMILES notation for 2-(2-cyclohexa-1,5-dien-1-yl-1,3-oxazol-4-yl)-1,3-bis(4-methylphenyl)propan-2-ol?
The canonical SMILES for 2-(2-cyclohexa-1,5-dien-1-yl-1,3-oxazol-4-yl)-1,3-bis(4-methylphenyl)propan-2-ol is Cc1ccc(CC(O)(Cc2ccc(C)cc2)c2coc(C3=CCCC=C3)n2)cc1.
What is the InChIKey of 2-(2-cyclohexa-1,5-dien-1-yl-1,3-oxazol-4-yl)-1,3-bis(4-methylphenyl)propan-2-ol?
The InChIKey is HCIZSCRWWNSRIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27NO2/c1-19-8-12-21(13-9-19)16-26(28,17-22-14-10-20(2)11-15-22)24-18-29-25(27-24)23-6-4-3-5-7-23/h4,6-15,18,28H,3,5,16-17H2,1-2H3.
What are the key properties of 2-(2-cyclohexa-1,5-dien-1-yl-1,3-oxazol-4-yl)-1,3-bis(4-methylphenyl)propan-2-ol?
2-(2-cyclohexa-1,5-dien-1-yl-1,3-oxazol-4-yl)-1,3-bis(4-methylphenyl)propan-2-ol has a molecular weight of 385.51 g/mol, XLogP of 5.70, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyclohexa-1,5-dien-1-yl-1,3-oxazol-4-yl)-1,3-bis(4-methylphenyl)propan-2-ol is sourced from PubChem (CID 146462269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).