4,4-dimethyl-2-(1-phenylcyclohexyl)-5H-1,3-oxazole

C17H23NO — CID 86092668

IUPAC4,4-dimethyl-2-(1-phenylcyclohexyl)-5H-1,3-oxazole
SMILESCC1(C)COC(C2(c3ccccc3)CCCCC2)=N1
InChIInChI=1S/C17H23NO/c1-16(2)13-19-15(18-16)17(11-7-4-8-12-17)14-9-5-3-6-10-14/h3,5-6,9-10H,4,7-8,11-13H2,1-2H3
InChIKeyHFGIWFMOAZEZJR-UHFFFAOYSA-N
MW257.38 g/mol
LogP4.10
Rot. Bonds2

About 4,4-dimethyl-2-(1-phenylcyclohexyl)-5H-1,3-oxazole

4,4-dimethyl-2-(1-phenylcyclohexyl)-5H-1,3-oxazole (PubChem CID 86092668) has the molecular formula C17H23NO and a molecular weight of 257.38 g/mol. Its IUPAC name is 4,4-dimethyl-2-(1-phenylcyclohexyl)-5H-1,3-oxazole.

Molecular Properties

Compound Name4,4-dimethyl-2-(1-phenylcyclohexyl)-5H-1,3-oxazole
PubChem CID86092668
Molecular FormulaC17H23NO
Molecular Weight257.38 g/mol
Exact Mass257.18
IUPAC Name4,4-dimethyl-2-(1-phenylcyclohexyl)-5H-1,3-oxazole
SMILESCC1(C)COC(C2(c3ccccc3)CCCCC2)=N1
InChIInChI=1S/C17H23NO/c1-16(2)13-19-15(18-16)17(11-7-4-8-12-17)14-9-5-3-6-10-14/h3,5-6,9-10H,4,7-8,11-13H2,1-2H3
InChIKeyHFGIWFMOAZEZJR-UHFFFAOYSA-N
XLogP4.10
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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2-([1,1'-Biphenyl]-2-yl)-4,4-dimethyl-4,5-dihydrooxazole
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Dimethyl (tetrahydro-3,3-diphenyl-2-furylidene) ammonium
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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
4,4-dimethyl-2-[2-methyl-6-[(E)-2-phenylethenyl]phenyl]-5H-1,3-oxazole
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(4S)-4-tert-butyl-2-[1-(2-iodophenyl)-1-phenylethyl]-4,5-dihydro-1,3-oxazole
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Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-2-(1-phenylcyclohexyl)-5H-1,3-oxazole?
The IUPAC name of 4,4-dimethyl-2-(1-phenylcyclohexyl)-5H-1,3-oxazole (CID 86092668) is 4,4-dimethyl-2-(1-phenylcyclohexyl)-5H-1,3-oxazole.
What is the SMILES notation for 4,4-dimethyl-2-(1-phenylcyclohexyl)-5H-1,3-oxazole?
The canonical SMILES for 4,4-dimethyl-2-(1-phenylcyclohexyl)-5H-1,3-oxazole is CC1(C)COC(C2(c3ccccc3)CCCCC2)=N1.
What is the InChIKey of 4,4-dimethyl-2-(1-phenylcyclohexyl)-5H-1,3-oxazole?
The InChIKey is HFGIWFMOAZEZJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO/c1-16(2)13-19-15(18-16)17(11-7-4-8-12-17)14-9-5-3-6-10-14/h3,5-6,9-10H,4,7-8,11-13H2,1-2H3.
What are the key properties of 4,4-dimethyl-2-(1-phenylcyclohexyl)-5H-1,3-oxazole?
4,4-dimethyl-2-(1-phenylcyclohexyl)-5H-1,3-oxazole has a molecular weight of 257.38 g/mol, XLogP of 4.10, 2 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-phenylcyclohexyl)-5H-1,3-oxazole is sourced from PubChem (CID 86092668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).