5-(2-methylprop-1-enyl)-3-(2,4,6-trimethylphenyl)-4,5-dihydro-1,2-oxazole

C16H21NO — CID 557722

IUPAC5-(2-methylprop-1-enyl)-3-(2,4,6-trimethylphenyl)-4,5-dihydro-1,2-oxazole
SMILESCC(C)=CC1CC(c2c(C)cc(C)cc2C)=NO1
InChIInChI=1S/C16H21NO/c1-10(2)6-14-9-15(17-18-14)16-12(4)7-11(3)8-13(16)5/h6-8,14H,9H2,1-5H3
InChIKeyGJLCYZXRLLBQRP-UHFFFAOYSA-N
MW243.35 g/mol
LogP4.07
Rot. Bonds2

About 5-(2-methylprop-1-enyl)-3-(2,4,6-trimethylphenyl)-4,5-dihydro-1,2-oxazole

5-(2-methylprop-1-enyl)-3-(2,4,6-trimethylphenyl)-4,5-dihydro-1,2-oxazole (PubChem CID 557722) has the molecular formula C16H21NO and a molecular weight of 243.35 g/mol. Its IUPAC name is 5-(2-methylprop-1-enyl)-3-(2,4,6-trimethylphenyl)-4,5-dihydro-1,2-oxazole.

Molecular Properties

Compound Name5-(2-methylprop-1-enyl)-3-(2,4,6-trimethylphenyl)-4,5-dihydro-1,2-oxazole
PubChem CID557722
Molecular FormulaC16H21NO
Molecular Weight243.35 g/mol
Exact Mass243.16
IUPAC Name5-(2-methylprop-1-enyl)-3-(2,4,6-trimethylphenyl)-4,5-dihydro-1,2-oxazole
SMILESCC(C)=CC1CC(c2c(C)cc(C)cc2C)=NO1
InChIInChI=1S/C16H21NO/c1-10(2)6-14-9-15(17-18-14)16-12(4)7-11(3)8-13(16)5/h6-8,14H,9H2,1-5H3
InChIKeyGJLCYZXRLLBQRP-UHFFFAOYSA-N
XLogP4.07
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 ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

3-(3,4-dimethylphenyl)-5,6-dihydro-4H-oxazine-6-carbonitrile
CID 25197529
6-(chloromethyl)-3-(3,4-dimethylphenyl)-5,6-dihydro-4H-oxazine
CID 25197530
[3-(3,4-dimethylphenyl)-5,6-dihydro-4H-oxazin-6-yl]methanol
CID 25197669
5-(Fluoromethyl)-3-(4-methylphenyl)-4,5-dihydro-1,2-oxazole
CID 154714052
4-(Difluoromethylidene)-3-(2,4,6-trimethylphenyl)-1,2-oxazole
CID 13582992
5-(difluoromethylidene)-3-(2,4,6-trimethylphenyl)-4H-1,2-oxazole
CID 134922223
Isoxazole, 5-butyl-4,5-dihydro-3-phenyl-
CID 11138176
(5S)-3,5-bis(4-methylphenyl)-4,5-dihydro-1,2-oxazole
CID 40173259
3-methyl-5-(trifluoromethyl)-5-(3,4,5-trimethylphenyl)-4H-1,2-oxazole
CID 91304788
3-[4-Pent-1-ynyl-2-(trifluoromethyl)phenyl]-3a,4,5,6,7,8,9,9a-octahydrocycloocta[d][1,2]oxazole
CID 123417645
3-(3,4-Dimethylphenyl)-5-(trifluoromethyl)-4,5-dihydro-1,2-oxazole
CID 134478606
5-[2-(3-Fluorophenyl)ethyl]-3-[(2-methylphenyl)methyl]-4,5-dihydro-1,2-oxazole
CID 143808452

Frequently Asked Questions

What is the IUPAC name of 5-(2-methylprop-1-enyl)-3-(2,4,6-trimethylphenyl)-4,5-dihydro-1,2-oxazole?
The IUPAC name of 5-(2-methylprop-1-enyl)-3-(2,4,6-trimethylphenyl)-4,5-dihydro-1,2-oxazole (CID 557722) is 5-(2-methylprop-1-enyl)-3-(2,4,6-trimethylphenyl)-4,5-dihydro-1,2-oxazole.
What is the SMILES notation for 5-(2-methylprop-1-enyl)-3-(2,4,6-trimethylphenyl)-4,5-dihydro-1,2-oxazole?
The canonical SMILES for 5-(2-methylprop-1-enyl)-3-(2,4,6-trimethylphenyl)-4,5-dihydro-1,2-oxazole is CC(C)=CC1CC(c2c(C)cc(C)cc2C)=NO1.
What is the InChIKey of 5-(2-methylprop-1-enyl)-3-(2,4,6-trimethylphenyl)-4,5-dihydro-1,2-oxazole?
The InChIKey is GJLCYZXRLLBQRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO/c1-10(2)6-14-9-15(17-18-14)16-12(4)7-11(3)8-13(16)5/h6-8,14H,9H2,1-5H3.
What are the key properties of 5-(2-methylprop-1-enyl)-3-(2,4,6-trimethylphenyl)-4,5-dihydro-1,2-oxazole?
5-(2-methylprop-1-enyl)-3-(2,4,6-trimethylphenyl)-4,5-dihydro-1,2-oxazole has a molecular weight of 243.35 g/mol, XLogP of 4.07, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methylprop-1-enyl)-3-(2,4,6-trimethylphenyl)-4,5-dihydro-1,2-oxazole is sourced from PubChem (CID 557722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).