2-[2-(2-ethyl-4-methylphenyl)propan-2-yl]-4,4-dimethyl-5H-1,3-oxazole

C17H25NO — CID 135057708

IUPAC2-[2-(2-ethyl-4-methylphenyl)propan-2-yl]-4,4-dimethyl-5H-1,3-oxazole
SMILESCCc1cc(C)ccc1C(C)(C)C1=NC(C)(C)CO1
InChIInChI=1S/C17H25NO/c1-7-13-10-12(2)8-9-14(13)17(5,6)15-18-16(3,4)11-19-15/h8-10H,7,11H2,1-6H3
InChIKeyKGAUXCZFLXENFS-UHFFFAOYSA-N
MW259.39 g/mol
LogP4.04
Rot. Bonds3

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

2-[2-(2-ethyl-4-methylphenyl)propan-2-yl]-4,4-dimethyl-5H-1,3-oxazole (PubChem CID 135057708) has the molecular formula C17H25NO and a molecular weight of 259.39 g/mol. Its IUPAC name is 2-[2-(2-ethyl-4-methylphenyl)propan-2-yl]-4,4-dimethyl-5H-1,3-oxazole.

Molecular Properties

Compound Name2-[2-(2-ethyl-4-methylphenyl)propan-2-yl]-4,4-dimethyl-5H-1,3-oxazole
PubChem CID135057708
Molecular FormulaC17H25NO
Molecular Weight259.39 g/mol
Exact Mass259.19
IUPAC Name2-[2-(2-ethyl-4-methylphenyl)propan-2-yl]-4,4-dimethyl-5H-1,3-oxazole
SMILESCCc1cc(C)ccc1C(C)(C)C1=NC(C)(C)CO1
InChIInChI=1S/C17H25NO/c1-7-13-10-12(2)8-9-14(13)17(5,6)15-18-16(3,4)11-19-15/h8-10H,7,11H2,1-6H3
InChIKeyKGAUXCZFLXENFS-UHFFFAOYSA-N
XLogP4.04
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.39
LogP ≤ 54.04
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-methyl-6-[(E)-2-phenylethenyl]phenyl]-5H-1,3-oxazole
CID 23584346
4,4-dimethyl-2-(2-phenylpropan-2-yl)-5H-1,3-oxazole
CID 86092669
2-[1-(3-fluoro-4-phenylphenyl)ethyl]-4,4-dimethyl-5H-1,3-oxazole
CID 20154043
2-[1-(2,2',4'-Trifluoro-4-biphenylyl)ethyl]-4,4-dimethyl-2-oxazoline
CID 21406752
2-[(4,5-ditert-butyl-2-fluorophenyl)methyl]-4,4-dimethyl-5H-1,3-oxazole
CID 160292016
4,4-Dimethyl-2-tricyclo[8.2.2.2~4,7~]hexadeca-1(12),4,6,10,13,15-hexaen-5-yl-4,5-dihydro-1,3-oxazole
CID 1230144
2-(4-(Tert-butyl)phenyl)-4,4-dimethyl-4,5-dihydrooxazole
CID 320072
2-(2-tert-Butylphenyl)-4,4-dimethyl-4,5-dihydro-1,3-oxazole
CID 13184751
Ethyl 2-(4-tert-butyl-2,6-dimethylphenyl)ethanimidate
CID 10586589

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-ethyl-4-methylphenyl)propan-2-yl]-4,4-dimethyl-5H-1,3-oxazole?
The IUPAC name of 2-[2-(2-ethyl-4-methylphenyl)propan-2-yl]-4,4-dimethyl-5H-1,3-oxazole (CID 135057708) is 2-[2-(2-ethyl-4-methylphenyl)propan-2-yl]-4,4-dimethyl-5H-1,3-oxazole.
What is the SMILES notation for 2-[2-(2-ethyl-4-methylphenyl)propan-2-yl]-4,4-dimethyl-5H-1,3-oxazole?
The canonical SMILES for 2-[2-(2-ethyl-4-methylphenyl)propan-2-yl]-4,4-dimethyl-5H-1,3-oxazole is CCc1cc(C)ccc1C(C)(C)C1=NC(C)(C)CO1.
What is the InChIKey of 2-[2-(2-ethyl-4-methylphenyl)propan-2-yl]-4,4-dimethyl-5H-1,3-oxazole?
The InChIKey is KGAUXCZFLXENFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO/c1-7-13-10-12(2)8-9-14(13)17(5,6)15-18-16(3,4)11-19-15/h8-10H,7,11H2,1-6H3.
What are the key properties of 2-[2-(2-ethyl-4-methylphenyl)propan-2-yl]-4,4-dimethyl-5H-1,3-oxazole?
2-[2-(2-ethyl-4-methylphenyl)propan-2-yl]-4,4-dimethyl-5H-1,3-oxazole has a molecular weight of 259.39 g/mol, XLogP of 4.04, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-ethyl-4-methylphenyl)propan-2-yl]-4,4-dimethyl-5H-1,3-oxazole is sourced from PubChem (CID 135057708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).