methyl 5-benzyl-1,2-oxazole-4-carboxylate

C12H11NO3 — CID 14787243

IUPACmethyl 5-benzyl-1,2-oxazole-4-carboxylate
SMILESCOC(=O)c1cnoc1Cc1ccccc1
InChIInChI=1S/C12H11NO3/c1-15-12(14)10-8-13-16-11(10)7-9-5-3-2-4-6-9/h2-6,8H,7H2,1H3
InChIKeyDVMCYWQJEAQRAR-UHFFFAOYSA-N
MW217.22 g/mol
LogP2.05
Rot. Bonds3

About methyl 5-benzyl-1,2-oxazole-4-carboxylate

methyl 5-benzyl-1,2-oxazole-4-carboxylate (PubChem CID 14787243) has the molecular formula C12H11NO3 and a molecular weight of 217.22 g/mol. Its IUPAC name is methyl 5-benzyl-1,2-oxazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 5-benzyl-1,2-oxazole-4-carboxylate
PubChem CID14787243
Molecular FormulaC12H11NO3
Molecular Weight217.22 g/mol
Exact Mass217.07
IUPAC Namemethyl 5-benzyl-1,2-oxazole-4-carboxylate
SMILESCOC(=O)c1cnoc1Cc1ccccc1
InChIInChI=1S/C12H11NO3/c1-15-12(14)10-8-13-16-11(10)7-9-5-3-2-4-6-9/h2-6,8H,7H2,1H3
InChIKeyDVMCYWQJEAQRAR-UHFFFAOYSA-N
XLogP2.05
TPSA52.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.22
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[5-[(3-methoxyphenyl)methyl]-1,2-oxazol-4-yl]ethanone
CID 115093716
1-[5-[(3-chlorophenyl)methyl]-1,2-oxazol-4-yl]ethanone
CID 115093711
CID 142974921
CID 142974921
methyl 6-benzyl-4-oxopyran-3-carboxylate
CID 54671421
ethane;methyl 5-benzyl-3-methylimidazo[1,5-a]pyridine-6-carboxylate
CID 123618155
methyl 5-tert-butyl-1,2-oxazole-4-carboxylate
CID 21039678
methyl 2-benzyl-4-methoxybenzoate
CID 166447478
di(113C)methyl benzene-1,2-dicarboxylate
CID 131668060
methyl 2-benzyl-5H-pyrrolo[2,3-b]pyrazine-7-carboxylate
CID 141364909
methyl 3-benzyl-2-hydroxy-5-methylbenzoate
CID 11858624
ethane;methyl 2-benzyl-1,3-oxazole-4-carboxylate
CID 91273560
methyl 2-(2-phenylethyl)benzoate
CID 59701000

Frequently Asked Questions

What is the IUPAC name of methyl 5-benzyl-1,2-oxazole-4-carboxylate?
The IUPAC name of methyl 5-benzyl-1,2-oxazole-4-carboxylate (CID 14787243) is methyl 5-benzyl-1,2-oxazole-4-carboxylate.
What is the SMILES notation for methyl 5-benzyl-1,2-oxazole-4-carboxylate?
The canonical SMILES for methyl 5-benzyl-1,2-oxazole-4-carboxylate is COC(=O)c1cnoc1Cc1ccccc1.
What is the InChIKey of methyl 5-benzyl-1,2-oxazole-4-carboxylate?
The InChIKey is DVMCYWQJEAQRAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NO3/c1-15-12(14)10-8-13-16-11(10)7-9-5-3-2-4-6-9/h2-6,8H,7H2,1H3.
What are the key properties of methyl 5-benzyl-1,2-oxazole-4-carboxylate?
methyl 5-benzyl-1,2-oxazole-4-carboxylate has a molecular weight of 217.22 g/mol, XLogP of 2.05, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-benzyl-1,2-oxazole-4-carboxylate is sourced from PubChem (CID 14787243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).