methyl 5-methyl-3-(2,4,6-trimethylphenyl)-4,5-dihydro-1,2-oxazole-4-carboxylate

C15H19NO3 — CID 135005221

IUPACmethyl 5-methyl-3-(2,4,6-trimethylphenyl)-4,5-dihydro-1,2-oxazole-4-carboxylate
SMILESCOC(=O)C1C(c2c(C)cc(C)cc2C)=NOC1C
InChIInChI=1S/C15H19NO3/c1-8-6-9(2)12(10(3)7-8)14-13(15(17)18-5)11(4)19-16-14/h6-7,11,13H,1-5H3
InChIKeyNVHAKTRDKSWMML-UHFFFAOYSA-N
MW261.32 g/mol
LogP2.52
Rot. Bonds2

About methyl 5-methyl-3-(2,4,6-trimethylphenyl)-4,5-dihydro-1,2-oxazole-4-carboxylate

methyl 5-methyl-3-(2,4,6-trimethylphenyl)-4,5-dihydro-1,2-oxazole-4-carboxylate (PubChem CID 135005221) has the molecular formula C15H19NO3 and a molecular weight of 261.32 g/mol. Its IUPAC name is methyl 5-methyl-3-(2,4,6-trimethylphenyl)-4,5-dihydro-1,2-oxazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 5-methyl-3-(2,4,6-trimethylphenyl)-4,5-dihydro-1,2-oxazole-4-carboxylate
PubChem CID135005221
Molecular FormulaC15H19NO3
Molecular Weight261.32 g/mol
Exact Mass261.14
IUPAC Namemethyl 5-methyl-3-(2,4,6-trimethylphenyl)-4,5-dihydro-1,2-oxazole-4-carboxylate
SMILESCOC(=O)C1C(c2c(C)cc(C)cc2C)=NOC1C
InChIInChI=1S/C15H19NO3/c1-8-6-9(2)12(10(3)7-8)14-13(15(17)18-5)11(4)19-16-14/h6-7,11,13H,1-5H3
InChIKeyNVHAKTRDKSWMML-UHFFFAOYSA-N
XLogP2.52
TPSA47.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 3-indan-5-yl-5,6-dihydro-4H-oxazine-6-carboxylate
CID 25197534
ethyl 3-(3,4-dimethylphenyl)-5,6-dihydro-4H-oxazine-6-carboxylate
CID 25197670
dimethyl 2-[[(4S,4aR,7aR)-4-phenyl-4,4a,5,6,7,7a-hexahydrocyclopenta[e]oxazin-3-yl]methyl]propanedioate
CID 102157796
Methyl 5-[(1e)-prop-1-en-1-yl]-3-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1,2-oxazole-4-carboxylate
CID 129839565
Ethyl 5-methyl-3-phenyl-4,5-dihydro-1,2-oxazole-4-carboxylate
CID 14921232
Methyl 6-phenyl-4-oxa-5-azaspiro[2.4]hept-5-ene-7-carboxylate
CID 134841609
ethyl (4R,5R)-5-phenyl-3-(2,4,6-trimethylphenyl)-4,5-dihydro-1,2-oxazole-4-carboxylate
CID 135006429
ethyl (4R,5R)-4-phenyl-3-(2,4,6-trimethylphenyl)-4,5-dihydro-1,2-oxazole-5-carboxylate
CID 135006430
(-)-Isobutyl 2-[3-(4-Cyanophenyl)-4,5-dihydro-5-isoxazolyl]acetate
CID 11066048
5-Methyl-3-phenyl-4,5-dihydroisoxazole-4-carboxylic acid
CID 69668242
Methyl 3-[2-(4'-fluoro-3,3',5-trimethyl[1,1'-biphenyl]-2-yl)ethyl]-4,5-dihydro-5-isoxazoleacetate
CID 54381644
2-[3-[2-[2-(4-Fluoro-3-methylphenyl)-4,6-dimethylphenyl]ethyl]-4-methyl-4,5-dihydro-1,2-oxazol-5-yl]acetic acid
CID 67946980

Frequently Asked Questions

What is the IUPAC name of methyl 5-methyl-3-(2,4,6-trimethylphenyl)-4,5-dihydro-1,2-oxazole-4-carboxylate?
The IUPAC name of methyl 5-methyl-3-(2,4,6-trimethylphenyl)-4,5-dihydro-1,2-oxazole-4-carboxylate (CID 135005221) is methyl 5-methyl-3-(2,4,6-trimethylphenyl)-4,5-dihydro-1,2-oxazole-4-carboxylate.
What is the SMILES notation for methyl 5-methyl-3-(2,4,6-trimethylphenyl)-4,5-dihydro-1,2-oxazole-4-carboxylate?
The canonical SMILES for methyl 5-methyl-3-(2,4,6-trimethylphenyl)-4,5-dihydro-1,2-oxazole-4-carboxylate is COC(=O)C1C(c2c(C)cc(C)cc2C)=NOC1C.
What is the InChIKey of methyl 5-methyl-3-(2,4,6-trimethylphenyl)-4,5-dihydro-1,2-oxazole-4-carboxylate?
The InChIKey is NVHAKTRDKSWMML-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO3/c1-8-6-9(2)12(10(3)7-8)14-13(15(17)18-5)11(4)19-16-14/h6-7,11,13H,1-5H3.
What are the key properties of methyl 5-methyl-3-(2,4,6-trimethylphenyl)-4,5-dihydro-1,2-oxazole-4-carboxylate?
methyl 5-methyl-3-(2,4,6-trimethylphenyl)-4,5-dihydro-1,2-oxazole-4-carboxylate has a molecular weight of 261.32 g/mol, XLogP of 2.52, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-methyl-3-(2,4,6-trimethylphenyl)-4,5-dihydro-1,2-oxazole-4-carboxylate is sourced from PubChem (CID 135005221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).