benzyl 3,5-dimethyl-4H-1,2-oxazole-5-carboxylate

C13H15NO3 — CID 90192308

IUPACbenzyl 3,5-dimethyl-4H-1,2-oxazole-5-carboxylate
SMILESCC1=NOC(C)(C(=O)OCc2ccccc2)C1
InChIInChI=1S/C13H15NO3/c1-10-8-13(2,17-14-10)12(15)16-9-11-6-4-3-5-7-11/h3-7H,8-9H2,1-2H3
InChIKeyAEMBJEOGXNTXKU-UHFFFAOYSA-N
MW233.27 g/mol
LogP2.28
Rot. Bonds3

About benzyl 3,5-dimethyl-4H-1,2-oxazole-5-carboxylate

benzyl 3,5-dimethyl-4H-1,2-oxazole-5-carboxylate (PubChem CID 90192308) has the molecular formula C13H15NO3 and a molecular weight of 233.27 g/mol. Its IUPAC name is benzyl 3,5-dimethyl-4H-1,2-oxazole-5-carboxylate.

Molecular Properties

Compound Namebenzyl 3,5-dimethyl-4H-1,2-oxazole-5-carboxylate
PubChem CID90192308
Molecular FormulaC13H15NO3
Molecular Weight233.27 g/mol
Exact Mass233.11
IUPAC Namebenzyl 3,5-dimethyl-4H-1,2-oxazole-5-carboxylate
SMILESCC1=NOC(C)(C(=O)OCc2ccccc2)C1
InChIInChI=1S/C13H15NO3/c1-10-8-13(2,17-14-10)12(15)16-9-11-6-4-3-5-7-11/h3-7H,8-9H2,1-2H3
InChIKeyAEMBJEOGXNTXKU-UHFFFAOYSA-N
XLogP2.28
TPSA47.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

benzyl (4S)-2,2,4-trimethyl-1,3-dioxolane-4-carboxylate
CID 67255511
methyl 3,5-dimethyl-4H-1,2-oxazole-5-carboxylate
CID 544674
benzyl (4S)-4-methyl-2-oxo-1,3-dioxolane-4-carboxylate
CID 67253255
benzyl 1-[(1S)-1-hydroxyethyl]cyclopropane-1-carboxylate
CID 171991539
benzyl (2S)-2-(hydroxymethyl)oxirane-2-carboxylate
CID 130249482
benzyl 1,4-dimethylpiperidine-4-carboxylate
CID 21050575
benzyl 2-(methoxymethyl)oxirane-2-carboxylate
CID 134309660
dibenzyl 1,3,6-trimethylazepane-3,6-dicarboxylate
CID 167239709
[(E)-butylideneamino] 3,5-dimethyl-4H-1,2-oxazole-5-carboxylate
CID 166651434
benzyl 3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)bicyclo[1.1.1]pentane-1-carboxylate
CID 163323617
benzyl 3-cyano-1,3-dimethylcyclobutane-1-carboxylate
CID 146204157
benzyl 1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]cyclopentane-1-carboxylate
CID 58560493

Frequently Asked Questions

What is the IUPAC name of benzyl 3,5-dimethyl-4H-1,2-oxazole-5-carboxylate?
The IUPAC name of benzyl 3,5-dimethyl-4H-1,2-oxazole-5-carboxylate (CID 90192308) is benzyl 3,5-dimethyl-4H-1,2-oxazole-5-carboxylate.
What is the SMILES notation for benzyl 3,5-dimethyl-4H-1,2-oxazole-5-carboxylate?
The canonical SMILES for benzyl 3,5-dimethyl-4H-1,2-oxazole-5-carboxylate is CC1=NOC(C)(C(=O)OCc2ccccc2)C1.
What is the InChIKey of benzyl 3,5-dimethyl-4H-1,2-oxazole-5-carboxylate?
The InChIKey is AEMBJEOGXNTXKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO3/c1-10-8-13(2,17-14-10)12(15)16-9-11-6-4-3-5-7-11/h3-7H,8-9H2,1-2H3.
What are the key properties of benzyl 3,5-dimethyl-4H-1,2-oxazole-5-carboxylate?
benzyl 3,5-dimethyl-4H-1,2-oxazole-5-carboxylate has a molecular weight of 233.27 g/mol, XLogP of 2.28, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 3,5-dimethyl-4H-1,2-oxazole-5-carboxylate is sourced from PubChem (CID 90192308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).