[1-(4-tert-butylphenyl)-1-oxopropan-2-yl] 3,5-dimethyl-1,2-oxazole-4-carboxylate

C19H23NO4 — CID 4829018

IUPAC[1-(4-tert-butylphenyl)-1-oxopropan-2-yl] 3,5-dimethyl-1,2-oxazole-4-carboxylate
SMILESCc1noc(C)c1C(=O)OC(C)C(=O)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C19H23NO4/c1-11-16(12(2)24-20-11)18(22)23-13(3)17(21)14-7-9-15(10-8-14)19(4,5)6/h7-10,13H,1-6H3
InChIKeyYYYHFBPUCWEBBZ-UHFFFAOYSA-N
MW329.40 g/mol
LogP4.02
Rot. Bonds4

About [1-(4-tert-butylphenyl)-1-oxopropan-2-yl] 3,5-dimethyl-1,2-oxazole-4-carboxylate

[1-(4-tert-butylphenyl)-1-oxopropan-2-yl] 3,5-dimethyl-1,2-oxazole-4-carboxylate (PubChem CID 4829018) has the molecular formula C19H23NO4 and a molecular weight of 329.40 g/mol. Its IUPAC name is [1-(4-tert-butylphenyl)-1-oxopropan-2-yl] 3,5-dimethyl-1,2-oxazole-4-carboxylate.

Molecular Properties

Compound Name[1-(4-tert-butylphenyl)-1-oxopropan-2-yl] 3,5-dimethyl-1,2-oxazole-4-carboxylate
PubChem CID4829018
Molecular FormulaC19H23NO4
Molecular Weight329.40 g/mol
Exact Mass329.16
IUPAC Name[1-(4-tert-butylphenyl)-1-oxopropan-2-yl] 3,5-dimethyl-1,2-oxazole-4-carboxylate
SMILESCc1noc(C)c1C(=O)OC(C)C(=O)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C19H23NO4/c1-11-16(12(2)24-20-11)18(22)23-13(3)17(21)14-7-9-15(10-8-14)19(4,5)6/h7-10,13H,1-6H3
InChIKeyYYYHFBPUCWEBBZ-UHFFFAOYSA-N
XLogP4.02
TPSA69.40 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [1-(4-tert-butylphenyl)-1-oxopropan-2-yl] 3,5-dimethyl-1,2-oxazole-4-carboxylate?
The IUPAC name of [1-(4-tert-butylphenyl)-1-oxopropan-2-yl] 3,5-dimethyl-1,2-oxazole-4-carboxylate (CID 4829018) is [1-(4-tert-butylphenyl)-1-oxopropan-2-yl] 3,5-dimethyl-1,2-oxazole-4-carboxylate.
What is the SMILES notation for [1-(4-tert-butylphenyl)-1-oxopropan-2-yl] 3,5-dimethyl-1,2-oxazole-4-carboxylate?
The canonical SMILES for [1-(4-tert-butylphenyl)-1-oxopropan-2-yl] 3,5-dimethyl-1,2-oxazole-4-carboxylate is Cc1noc(C)c1C(=O)OC(C)C(=O)c1ccc(C(C)(C)C)cc1.
What is the InChIKey of [1-(4-tert-butylphenyl)-1-oxopropan-2-yl] 3,5-dimethyl-1,2-oxazole-4-carboxylate?
The InChIKey is YYYHFBPUCWEBBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO4/c1-11-16(12(2)24-20-11)18(22)23-13(3)17(21)14-7-9-15(10-8-14)19(4,5)6/h7-10,13H,1-6H3.
What are the key properties of [1-(4-tert-butylphenyl)-1-oxopropan-2-yl] 3,5-dimethyl-1,2-oxazole-4-carboxylate?
[1-(4-tert-butylphenyl)-1-oxopropan-2-yl] 3,5-dimethyl-1,2-oxazole-4-carboxylate has a molecular weight of 329.40 g/mol, XLogP of 4.02, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-tert-butylphenyl)-1-oxopropan-2-yl] 3,5-dimethyl-1,2-oxazole-4-carboxylate is sourced from PubChem (CID 4829018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).