2-(1-cyclohexa-2,4-dien-1-yl-7-phenylheptan-4-yl)-4,4-dimethyl-5H-1,3-oxazole

C24H33NO — CID 142138122

IUPAC2-(1-cyclohexa-2,4-dien-1-yl-7-phenylheptan-4-yl)-4,4-dimethyl-5H-1,3-oxazole
SMILESCC1(C)COC(C(CCCc2ccccc2)CCCC2C=CC=CC2)=N1
InChIInChI=1S/C24H33NO/c1-24(2)19-26-23(25-24)22(17-9-15-20-11-5-3-6-12-20)18-10-16-21-13-7-4-8-14-21/h3-8,11-13,21-22H,9-10,14-19H2,1-2H3
InChIKeyDVKFSFXKVFFFPZ-UHFFFAOYSA-N
MW351.53 g/mol
LogP6.14
Rot. Bonds9

About 2-(1-cyclohexa-2,4-dien-1-yl-7-phenylheptan-4-yl)-4,4-dimethyl-5H-1,3-oxazole

2-(1-cyclohexa-2,4-dien-1-yl-7-phenylheptan-4-yl)-4,4-dimethyl-5H-1,3-oxazole (PubChem CID 142138122) has the molecular formula C24H33NO and a molecular weight of 351.53 g/mol. Its IUPAC name is 2-(1-cyclohexa-2,4-dien-1-yl-7-phenylheptan-4-yl)-4,4-dimethyl-5H-1,3-oxazole.

Molecular Properties

Compound Name2-(1-cyclohexa-2,4-dien-1-yl-7-phenylheptan-4-yl)-4,4-dimethyl-5H-1,3-oxazole
PubChem CID142138122
Molecular FormulaC24H33NO
Molecular Weight351.53 g/mol
Exact Mass351.26
IUPAC Name2-(1-cyclohexa-2,4-dien-1-yl-7-phenylheptan-4-yl)-4,4-dimethyl-5H-1,3-oxazole
SMILESCC1(C)COC(C(CCCc2ccccc2)CCCC2C=CC=CC2)=N1
InChIInChI=1S/C24H33NO/c1-24(2)19-26-23(25-24)22(17-9-15-20-11-5-3-6-12-20)18-10-16-21-13-7-4-8-14-21/h3-8,11-13,21-22H,9-10,14-19H2,1-2H3
InChIKeyDVKFSFXKVFFFPZ-UHFFFAOYSA-N
XLogP6.14
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500351.53
LogP ≤ 56.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4,4-Dimethyl-2-phenylmethyl-2-oxazoline
CID 98710
2-benzyl-5,6-dihydro-4,4,6-trimethyl-4H-1,3-oxazine
CID 98984
2-(2-Phenylethyl)-4,4(5H)-oxazoledimethanol
CID 1511173
2-Benzyl-4,5-dihydro-1,3-oxazole
CID 299603
4,4-dimethyl-2-(1-methyl-4H-naphthalen-1-yl)-5H-oxazole
CID 455267
4,4-Dimethyl-2-(2-phenylethyl)-4,5-dihydro-1,3-oxazole
CID 293675
(2S,5R)-2,5-dihydro-2-isopropyl-3,6-dimethoxy-5-benzyl-5-methylpyrazine
CID 10989847
(4S)-4-benzyl-2-ethyl-4,5-dihydro-1,3-oxazole
CID 12694682
4,5-Dihydro-2-methyl-4-[2-(4-octylphenyl)ethyl]-4-oxazolemethanol
CID 71316181
4,4-dimethyl-2-(2-phenylpropan-2-yl)-5H-1,3-oxazole
CID 86092669
2-[1-(3-fluoro-4-phenylphenyl)ethyl]-4,4-dimethyl-5H-1,3-oxazole
CID 20154043
2-[1-(2,2',4'-Trifluoro-4-biphenylyl)ethyl]-4,4-dimethyl-2-oxazoline
CID 21406752

Frequently Asked Questions

What is the IUPAC name of 2-(1-cyclohexa-2,4-dien-1-yl-7-phenylheptan-4-yl)-4,4-dimethyl-5H-1,3-oxazole?
The IUPAC name of 2-(1-cyclohexa-2,4-dien-1-yl-7-phenylheptan-4-yl)-4,4-dimethyl-5H-1,3-oxazole (CID 142138122) is 2-(1-cyclohexa-2,4-dien-1-yl-7-phenylheptan-4-yl)-4,4-dimethyl-5H-1,3-oxazole.
What is the SMILES notation for 2-(1-cyclohexa-2,4-dien-1-yl-7-phenylheptan-4-yl)-4,4-dimethyl-5H-1,3-oxazole?
The canonical SMILES for 2-(1-cyclohexa-2,4-dien-1-yl-7-phenylheptan-4-yl)-4,4-dimethyl-5H-1,3-oxazole is CC1(C)COC(C(CCCc2ccccc2)CCCC2C=CC=CC2)=N1.
What is the InChIKey of 2-(1-cyclohexa-2,4-dien-1-yl-7-phenylheptan-4-yl)-4,4-dimethyl-5H-1,3-oxazole?
The InChIKey is DVKFSFXKVFFFPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33NO/c1-24(2)19-26-23(25-24)22(17-9-15-20-11-5-3-6-12-20)18-10-16-21-13-7-4-8-14-21/h3-8,11-13,21-22H,9-10,14-19H2,1-2H3.
What are the key properties of 2-(1-cyclohexa-2,4-dien-1-yl-7-phenylheptan-4-yl)-4,4-dimethyl-5H-1,3-oxazole?
2-(1-cyclohexa-2,4-dien-1-yl-7-phenylheptan-4-yl)-4,4-dimethyl-5H-1,3-oxazole has a molecular weight of 351.53 g/mol, XLogP of 6.14, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-cyclohexa-2,4-dien-1-yl-7-phenylheptan-4-yl)-4,4-dimethyl-5H-1,3-oxazole is sourced from PubChem (CID 142138122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).