4-[cycloheptylidene-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]methyl]phenol

C25H27NO2 — CID 11485600

IUPAC4-[cycloheptylidene-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]methyl]phenol
SMILESCc1noc(C)c1-c1ccc(C(=C2CCCCCC2)c2ccc(O)cc2)cc1
InChIInChI=1S/C25H27NO2/c1-17-24(18(2)28-26-17)20-9-11-21(12-10-20)25(19-7-5-3-4-6-8-19)22-13-15-23(27)16-14-22/h9-16,27H,3-8H2,1-2H3
InChIKeyOQAVAAMXESTSFG-UHFFFAOYSA-N
MW373.50 g/mol
LogP6.82
Rot. Bonds3

About 4-[cycloheptylidene-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]methyl]phenol

4-[cycloheptylidene-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]methyl]phenol (PubChem CID 11485600) has the molecular formula C25H27NO2 and a molecular weight of 373.50 g/mol. Its IUPAC name is 4-[cycloheptylidene-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]methyl]phenol.

Molecular Properties

Compound Name4-[cycloheptylidene-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]methyl]phenol
PubChem CID11485600
Molecular FormulaC25H27NO2
Molecular Weight373.50 g/mol
Exact Mass373.20
IUPAC Name4-[cycloheptylidene-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]methyl]phenol
SMILESCc1noc(C)c1-c1ccc(C(=C2CCCCCC2)c2ccc(O)cc2)cc1
InChIInChI=1S/C25H27NO2/c1-17-24(18(2)28-26-17)20-9-11-21(12-10-20)25(19-7-5-3-4-6-8-19)22-13-15-23(27)16-14-22/h9-16,27H,3-8H2,1-2H3
InChIKeyOQAVAAMXESTSFG-UHFFFAOYSA-N
XLogP6.82
TPSA46.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.50
LogP ≤ 56.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3,5-Diphenylisoxazole
CID 137292
3,5-Dimethyl-4-phenylisoxazole
CID 5325760
5-Methyl-3,4-diphenyl-isoxazole
CID 9991673
3,4-Diphenyl-5-ethylisoxazole
CID 10377376
3-(3,5-Dimethyl-1,2-Oxazol-4-Yl)-5-[(S)-Hydroxy(Phenyl)methyl]phenol
CID 70699441
3-[3-(4-Hydroxyphenyl)isoxazol-5-yl]phenol
CID 135855877
Isoxazole, 5-(4-methylphenyl)-3-phenyl-
CID 296680
3-(3,5-Dimethyl-1,2-Oxazol-4-Yl)-5-[(R)-Hydroxy(Phenyl)methyl]phenol
CID 70699440
6-(dimethyl-1,2-oxazol-4-yl)-1-phenyl-2,3-dihydro-1H-inden-1-ol
CID 72684073
2-[3-(4-Fluorophenyl)-5-isoxazolyl]-4-methylphenol
CID 873889
Phenyl(5-phenyl-1,2-oxazol-3-yl)methanone
CID 346489
5-Methyl-2-(3-phenyl-5-isoxazolyl)phenol
CID 873963

Frequently Asked Questions

What is the IUPAC name of 4-[cycloheptylidene-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]methyl]phenol?
The IUPAC name of 4-[cycloheptylidene-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]methyl]phenol (CID 11485600) is 4-[cycloheptylidene-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]methyl]phenol.
What is the SMILES notation for 4-[cycloheptylidene-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]methyl]phenol?
The canonical SMILES for 4-[cycloheptylidene-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]methyl]phenol is Cc1noc(C)c1-c1ccc(C(=C2CCCCCC2)c2ccc(O)cc2)cc1.
What is the InChIKey of 4-[cycloheptylidene-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]methyl]phenol?
The InChIKey is OQAVAAMXESTSFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27NO2/c1-17-24(18(2)28-26-17)20-9-11-21(12-10-20)25(19-7-5-3-4-6-8-19)22-13-15-23(27)16-14-22/h9-16,27H,3-8H2,1-2H3.
What are the key properties of 4-[cycloheptylidene-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]methyl]phenol?
4-[cycloheptylidene-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]methyl]phenol has a molecular weight of 373.50 g/mol, XLogP of 6.82, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[cycloheptylidene-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]methyl]phenol is sourced from PubChem (CID 11485600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).