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

C16H21NO — CID 11543264

IUPAC4,4-dimethyl-2-(1-phenylcyclopentyl)-5H-1,3-oxazole
SMILESCC1(C)COC(C2(c3ccccc3)CCCC2)=N1
InChIInChI=1S/C16H21NO/c1-15(2)12-18-14(17-15)16(10-6-7-11-16)13-8-4-3-5-9-13/h3-5,8-9H,6-7,10-12H2,1-2H3
InChIKeyAMLPZOWMVGWGOR-UHFFFAOYSA-N
MW243.35 g/mol
LogP3.71
Rot. Bonds2

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

4,4-dimethyl-2-(1-phenylcyclopentyl)-5H-1,3-oxazole (PubChem CID 11543264) has the molecular formula C16H21NO and a molecular weight of 243.35 g/mol. Its IUPAC name is 4,4-dimethyl-2-(1-phenylcyclopentyl)-5H-1,3-oxazole.

Molecular Properties

Compound Name4,4-dimethyl-2-(1-phenylcyclopentyl)-5H-1,3-oxazole
PubChem CID11543264
Molecular FormulaC16H21NO
Molecular Weight243.35 g/mol
Exact Mass243.16
IUPAC Name4,4-dimethyl-2-(1-phenylcyclopentyl)-5H-1,3-oxazole
SMILESCC1(C)COC(C2(c3ccccc3)CCCC2)=N1
InChIInChI=1S/C16H21NO/c1-15(2)12-18-14(17-15)16(10-6-7-11-16)13-8-4-3-5-9-13/h3-5,8-9H,6-7,10-12H2,1-2H3
InChIKeyAMLPZOWMVGWGOR-UHFFFAOYSA-N
XLogP3.71
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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Dimethyl (tetrahydro-3,3-diphenyl-2-furylidene) ammonium
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2-(2-methoxy-1-methyl-4-methylene-1-naphthyl)-4,4-dimethyl-5H-oxazole
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4,4-Dimethyl-2-(2-phenylethyl)-4,5-dihydro-1,3-oxazole
CID 293675
(4S)-4-tert-butyl-2-[1-(2-iodophenyl)-1-phenylethyl]-4,5-dihydro-1,3-oxazole
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2,4-dimethyl-4-phenyl-5H-1,3-oxazole
CID 70189853
4,4-dimethyl-2-(2-phenylpropan-2-yl)-5H-1,3-oxazole
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Oxazole, 2-[1-(4-bromophenyl)-1-methylethyl]-4,5-dihydro-4,4-dimethyl-
CID 15512390
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Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-2-(1-phenylcyclopentyl)-5H-1,3-oxazole?
The IUPAC name of 4,4-dimethyl-2-(1-phenylcyclopentyl)-5H-1,3-oxazole (CID 11543264) is 4,4-dimethyl-2-(1-phenylcyclopentyl)-5H-1,3-oxazole.
What is the SMILES notation for 4,4-dimethyl-2-(1-phenylcyclopentyl)-5H-1,3-oxazole?
The canonical SMILES for 4,4-dimethyl-2-(1-phenylcyclopentyl)-5H-1,3-oxazole is CC1(C)COC(C2(c3ccccc3)CCCC2)=N1.
What is the InChIKey of 4,4-dimethyl-2-(1-phenylcyclopentyl)-5H-1,3-oxazole?
The InChIKey is AMLPZOWMVGWGOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO/c1-15(2)12-18-14(17-15)16(10-6-7-11-16)13-8-4-3-5-9-13/h3-5,8-9H,6-7,10-12H2,1-2H3.
What are the key properties of 4,4-dimethyl-2-(1-phenylcyclopentyl)-5H-1,3-oxazole?
4,4-dimethyl-2-(1-phenylcyclopentyl)-5H-1,3-oxazole has a molecular weight of 243.35 g/mol, XLogP of 3.71, 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-phenylcyclopentyl)-5H-1,3-oxazole is sourced from PubChem (CID 11543264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).