4,4-dimethyl-2-[1-(2-octylphenyl)cyclopentyl]-5H-1,3-oxazole

C24H37NO — CID 86092698

IUPAC4,4-dimethyl-2-[1-(2-octylphenyl)cyclopentyl]-5H-1,3-oxazole
SMILESCCCCCCCCc1ccccc1C1(C2=NC(C)(C)CO2)CCCC1
InChIInChI=1S/C24H37NO/c1-4-5-6-7-8-9-14-20-15-10-11-16-21(20)24(17-12-13-18-24)22-25-23(2,3)19-26-22/h10-11,15-16H,4-9,12-14,17-19H2,1-3H3
InChIKeyNVKRSGNQMIPCTG-UHFFFAOYSA-N
MW355.57 g/mol
LogP6.61
Rot. Bonds9

About 4,4-dimethyl-2-[1-(2-octylphenyl)cyclopentyl]-5H-1,3-oxazole

4,4-dimethyl-2-[1-(2-octylphenyl)cyclopentyl]-5H-1,3-oxazole (PubChem CID 86092698) has the molecular formula C24H37NO and a molecular weight of 355.57 g/mol. Its IUPAC name is 4,4-dimethyl-2-[1-(2-octylphenyl)cyclopentyl]-5H-1,3-oxazole.

Molecular Properties

Compound Name4,4-dimethyl-2-[1-(2-octylphenyl)cyclopentyl]-5H-1,3-oxazole
PubChem CID86092698
Molecular FormulaC24H37NO
Molecular Weight355.57 g/mol
Exact Mass355.29
IUPAC Name4,4-dimethyl-2-[1-(2-octylphenyl)cyclopentyl]-5H-1,3-oxazole
SMILESCCCCCCCCc1ccccc1C1(C2=NC(C)(C)CO2)CCCC1
InChIInChI=1S/C24H37NO/c1-4-5-6-7-8-9-14-20-15-10-11-16-21(20)24(17-12-13-18-24)22-25-23(2,3)19-26-22/h10-11,15-16H,4-9,12-14,17-19H2,1-3H3
InChIKeyNVKRSGNQMIPCTG-UHFFFAOYSA-N
XLogP6.61
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500355.57
LogP ≤ 56.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

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CID 54050070
1-hexadecyl-2-pentylbenzene
CID 53438584
1,2-di(nonadecyl)benzene
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1,2-di(undecyl)benzene
CID 3019479
1,2-dihexylbenzene;hydrate
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3-(2-butylphenyl)-3-propyldioxirane
CID 141039905
2-[(E)-heptadec-8-enyl]-4,4-dimethyl-5H-1,3-oxazole
CID 5370405
2-(2-butyl-3-methylphenyl)-4,4-dimethyl-5H-1,3-oxazole
CID 14197394
2-(1-ethylcyclopropyl)-4,4-dimethyl-5H-1,3-oxazole
CID 71426920
3-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-2-pentylbenzonitrile
CID 13170197

Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-2-[1-(2-octylphenyl)cyclopentyl]-5H-1,3-oxazole?
The IUPAC name of 4,4-dimethyl-2-[1-(2-octylphenyl)cyclopentyl]-5H-1,3-oxazole (CID 86092698) is 4,4-dimethyl-2-[1-(2-octylphenyl)cyclopentyl]-5H-1,3-oxazole.
What is the SMILES notation for 4,4-dimethyl-2-[1-(2-octylphenyl)cyclopentyl]-5H-1,3-oxazole?
The canonical SMILES for 4,4-dimethyl-2-[1-(2-octylphenyl)cyclopentyl]-5H-1,3-oxazole is CCCCCCCCc1ccccc1C1(C2=NC(C)(C)CO2)CCCC1.
What is the InChIKey of 4,4-dimethyl-2-[1-(2-octylphenyl)cyclopentyl]-5H-1,3-oxazole?
The InChIKey is NVKRSGNQMIPCTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H37NO/c1-4-5-6-7-8-9-14-20-15-10-11-16-21(20)24(17-12-13-18-24)22-25-23(2,3)19-26-22/h10-11,15-16H,4-9,12-14,17-19H2,1-3H3.
What are the key properties of 4,4-dimethyl-2-[1-(2-octylphenyl)cyclopentyl]-5H-1,3-oxazole?
4,4-dimethyl-2-[1-(2-octylphenyl)cyclopentyl]-5H-1,3-oxazole has a molecular weight of 355.57 g/mol, XLogP of 6.61, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-2-[1-(2-octylphenyl)cyclopentyl]-5H-1,3-oxazole is sourced from PubChem (CID 86092698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).