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

C16H21NO — CID 86092678

IUPAC2-[1-(2-ethylphenyl)cyclopropyl]-4,4-dimethyl-5H-1,3-oxazole
SMILESCCc1ccccc1C1(C2=NC(C)(C)CO2)CC1
InChIInChI=1S/C16H21NO/c1-4-12-7-5-6-8-13(12)16(9-10-16)14-17-15(2,3)11-18-14/h5-8H,4,9-11H2,1-3H3
InChIKeyYITAHSBDOPBJJB-UHFFFAOYSA-N
MW243.35 g/mol
LogP3.49
Rot. Bonds3

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

2-[1-(2-ethylphenyl)cyclopropyl]-4,4-dimethyl-5H-1,3-oxazole (PubChem CID 86092678) has the molecular formula C16H21NO and a molecular weight of 243.35 g/mol. Its IUPAC name is 2-[1-(2-ethylphenyl)cyclopropyl]-4,4-dimethyl-5H-1,3-oxazole.

Molecular Properties

Compound Name2-[1-(2-ethylphenyl)cyclopropyl]-4,4-dimethyl-5H-1,3-oxazole
PubChem CID86092678
Molecular FormulaC16H21NO
Molecular Weight243.35 g/mol
Exact Mass243.16
IUPAC Name2-[1-(2-ethylphenyl)cyclopropyl]-4,4-dimethyl-5H-1,3-oxazole
SMILESCCc1ccccc1C1(C2=NC(C)(C)CO2)CC1
InChIInChI=1S/C16H21NO/c1-4-12-7-5-6-8-13(12)16(9-10-16)14-17-15(2,3)11-18-14/h5-8H,4,9-11H2,1-3H3
InChIKeyYITAHSBDOPBJJB-UHFFFAOYSA-N
XLogP3.49
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 53.49
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
(4S)-4-tert-butyl-2-[1-(2-iodophenyl)-1-phenylethyl]-4,5-dihydro-1,3-oxazole
CID 11750846
4,4-dimethyl-2-(2-phenylpropan-2-yl)-5H-1,3-oxazole
CID 86092669
2-[2-fluoro-6-(1-methylcyclopentyl)phenyl]-4,4-dimethyl-5H-1,3-oxazole
CID 18630289
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 2-[1-(2-ethylphenyl)cyclopropyl]-4,4-dimethyl-5H-1,3-oxazole?
The IUPAC name of 2-[1-(2-ethylphenyl)cyclopropyl]-4,4-dimethyl-5H-1,3-oxazole (CID 86092678) is 2-[1-(2-ethylphenyl)cyclopropyl]-4,4-dimethyl-5H-1,3-oxazole.
What is the SMILES notation for 2-[1-(2-ethylphenyl)cyclopropyl]-4,4-dimethyl-5H-1,3-oxazole?
The canonical SMILES for 2-[1-(2-ethylphenyl)cyclopropyl]-4,4-dimethyl-5H-1,3-oxazole is CCc1ccccc1C1(C2=NC(C)(C)CO2)CC1.
What is the InChIKey of 2-[1-(2-ethylphenyl)cyclopropyl]-4,4-dimethyl-5H-1,3-oxazole?
The InChIKey is YITAHSBDOPBJJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO/c1-4-12-7-5-6-8-13(12)16(9-10-16)14-17-15(2,3)11-18-14/h5-8H,4,9-11H2,1-3H3.
What are the key properties of 2-[1-(2-ethylphenyl)cyclopropyl]-4,4-dimethyl-5H-1,3-oxazole?
2-[1-(2-ethylphenyl)cyclopropyl]-4,4-dimethyl-5H-1,3-oxazole has a molecular weight of 243.35 g/mol, XLogP of 3.49, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-ethylphenyl)cyclopropyl]-4,4-dimethyl-5H-1,3-oxazole is sourced from PubChem (CID 86092678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).