methyl 4-(1,2-oxazol-5-yl)benzoate

C11H9NO3 — CID 44541917

IUPACmethyl 4-(1,2-oxazol-5-yl)benzoate
SMILESCOC(=O)c1ccc(-c2ccno2)cc1
InChIInChI=1S/C11H9NO3/c1-14-11(13)9-4-2-8(3-5-9)10-6-7-12-15-10/h2-7H,1H3
InChIKeySZCTXCZVDFSQIC-UHFFFAOYSA-N
MW203.20 g/mol
LogP2.13
Rot. Bonds2

About methyl 4-(1,2-oxazol-5-yl)benzoate

methyl 4-(1,2-oxazol-5-yl)benzoate (PubChem CID 44541917) has the molecular formula C11H9NO3 and a molecular weight of 203.20 g/mol. Its IUPAC name is methyl 4-(1,2-oxazol-5-yl)benzoate.

Molecular Properties

Compound Namemethyl 4-(1,2-oxazol-5-yl)benzoate
PubChem CID44541917
Molecular FormulaC11H9NO3
Molecular Weight203.20 g/mol
Exact Mass203.06
IUPAC Namemethyl 4-(1,2-oxazol-5-yl)benzoate
SMILESCOC(=O)c1ccc(-c2ccno2)cc1
InChIInChI=1S/C11H9NO3/c1-14-11(13)9-4-2-8(3-5-9)10-6-7-12-15-10/h2-7H,1H3
InChIKeySZCTXCZVDFSQIC-UHFFFAOYSA-N
XLogP2.13
TPSA52.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.20
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-(4-methylphenyl)-1,2-oxazole;oxalic acid
CID 19013351
iron;methyl 4-(4-methoxycarbonylphenyl)benzoate
CID 159353152
methyl 4-(5-methylfuran-2-yl)benzoate
CID 5219873
methyl 4-acetylbenzoate;methyl 4-(3-methyl-1,2-oxazol-5-yl)benzoate
CID 159441639
methyl 4-methylbenzoate
CID 91113291
methyl 4-methylbenzoate
CID 7455
methyl 4-(5-propan-2-ylfuran-2-yl)benzoate
CID 155632242
methyl 4-[[2-methyl-5-(1,2-oxazol-5-yl)thiophen-3-yl]sulfonylamino]benzoate
CID 53079541
methyl 4-furo[3,2-c]pyridin-2-ylbenzoate
CID 54351307
methyl 4-[4-[4-(4-chlorophenyl)phenyl]phenyl]benzoate
CID 71713147
methyl 4-methylbenzoate tritetrafluoroborate
CID 175179502
dimethyl 5-(4-methoxycarbonylphenyl)benzene-1,3-dicarboxylate
CID 118103022

Frequently Asked Questions

What is the IUPAC name of methyl 4-(1,2-oxazol-5-yl)benzoate?
The IUPAC name of methyl 4-(1,2-oxazol-5-yl)benzoate (CID 44541917) is methyl 4-(1,2-oxazol-5-yl)benzoate.
What is the SMILES notation for methyl 4-(1,2-oxazol-5-yl)benzoate?
The canonical SMILES for methyl 4-(1,2-oxazol-5-yl)benzoate is COC(=O)c1ccc(-c2ccno2)cc1.
What is the InChIKey of methyl 4-(1,2-oxazol-5-yl)benzoate?
The InChIKey is SZCTXCZVDFSQIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9NO3/c1-14-11(13)9-4-2-8(3-5-9)10-6-7-12-15-10/h2-7H,1H3.
What are the key properties of methyl 4-(1,2-oxazol-5-yl)benzoate?
methyl 4-(1,2-oxazol-5-yl)benzoate has a molecular weight of 203.20 g/mol, XLogP of 2.13, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(1,2-oxazol-5-yl)benzoate is sourced from PubChem (CID 44541917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).