4,4-dimethyl-2-[1-(2-methylphenyl)cyclopropyl]-5H-1,3-oxazole

C15H19NO — CID 86092676

IUPAC4,4-dimethyl-2-[1-(2-methylphenyl)cyclopropyl]-5H-1,3-oxazole
SMILESCc1ccccc1C1(C2=NC(C)(C)CO2)CC1
InChIInChI=1S/C15H19NO/c1-11-6-4-5-7-12(11)15(8-9-15)13-16-14(2,3)10-17-13/h4-7H,8-10H2,1-3H3
InChIKeyHANYHMYMWDUICF-UHFFFAOYSA-N
MW229.32 g/mol
LogP3.23
Rot. Bonds2

About 4,4-dimethyl-2-[1-(2-methylphenyl)cyclopropyl]-5H-1,3-oxazole

4,4-dimethyl-2-[1-(2-methylphenyl)cyclopropyl]-5H-1,3-oxazole (PubChem CID 86092676) has the molecular formula C15H19NO and a molecular weight of 229.32 g/mol. Its IUPAC name is 4,4-dimethyl-2-[1-(2-methylphenyl)cyclopropyl]-5H-1,3-oxazole.

Molecular Properties

Compound Name4,4-dimethyl-2-[1-(2-methylphenyl)cyclopropyl]-5H-1,3-oxazole
PubChem CID86092676
Molecular FormulaC15H19NO
Molecular Weight229.32 g/mol
Exact Mass229.15
IUPAC Name4,4-dimethyl-2-[1-(2-methylphenyl)cyclopropyl]-5H-1,3-oxazole
SMILESCc1ccccc1C1(C2=NC(C)(C)CO2)CC1
InChIInChI=1S/C15H19NO/c1-11-6-4-5-7-12(11)15(8-9-15)13-16-14(2,3)10-17-13/h4-7H,8-10H2,1-3H3
InChIKeyHANYHMYMWDUICF-UHFFFAOYSA-N
XLogP3.23
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4,4-Dimethyl-2-phenylmethyl-2-oxazoline
CID 98710
2-(2-methoxy-1-methyl-4-methylene-1-naphthyl)-4,4-dimethyl-5H-oxazole
CID 455266
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
2-(2-ethylphenyl)-4,4-dimethyl-5H-1,3-oxazole
CID 85943697
4,4-dimethyl-2-(2-phenylpropan-2-yl)-5H-1,3-oxazole
CID 86092669
Oxazole, 2-[1-(4-bromophenyl)-1-methylethyl]-4,5-dihydro-4,4-dimethyl-
CID 15512390
2-[(4,5-ditert-butyl-2-fluorophenyl)methyl]-4,4-dimethyl-5H-1,3-oxazole
CID 160292016
(4S)-4-tert-butyl-2-(2-phenylethyl)-4,5-dihydro-1,3-oxazole
CID 12025113
2-(2-tert-Butylphenyl)-4,4-dimethyl-4,5-dihydro-1,3-oxazole
CID 13184751
(4S)-4-tert-butyl-2-(1,1-diphenylethyl)-4,5-dihydro-1,3-oxazole
CID 11426795
4,4-dimethyl-2-(1-phenylcyclopentyl)-5H-1,3-oxazole
CID 11543264

Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-2-[1-(2-methylphenyl)cyclopropyl]-5H-1,3-oxazole?
The IUPAC name of 4,4-dimethyl-2-[1-(2-methylphenyl)cyclopropyl]-5H-1,3-oxazole (CID 86092676) is 4,4-dimethyl-2-[1-(2-methylphenyl)cyclopropyl]-5H-1,3-oxazole.
What is the SMILES notation for 4,4-dimethyl-2-[1-(2-methylphenyl)cyclopropyl]-5H-1,3-oxazole?
The canonical SMILES for 4,4-dimethyl-2-[1-(2-methylphenyl)cyclopropyl]-5H-1,3-oxazole is Cc1ccccc1C1(C2=NC(C)(C)CO2)CC1.
What is the InChIKey of 4,4-dimethyl-2-[1-(2-methylphenyl)cyclopropyl]-5H-1,3-oxazole?
The InChIKey is HANYHMYMWDUICF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO/c1-11-6-4-5-7-12(11)15(8-9-15)13-16-14(2,3)10-17-13/h4-7H,8-10H2,1-3H3.
What are the key properties of 4,4-dimethyl-2-[1-(2-methylphenyl)cyclopropyl]-5H-1,3-oxazole?
4,4-dimethyl-2-[1-(2-methylphenyl)cyclopropyl]-5H-1,3-oxazole has a molecular weight of 229.32 g/mol, XLogP of 3.23, 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-(2-methylphenyl)cyclopropyl]-5H-1,3-oxazole is sourced from PubChem (CID 86092676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).