benzyl 2-(3-methoxyphenyl)-1,3-oxazole-4-carboxylate

C18H15NO4 — CID 46201740

IUPACbenzyl 2-(3-methoxyphenyl)-1,3-oxazole-4-carboxylate
SMILESCOc1cccc(-c2nc(C(=O)OCc3ccccc3)co2)c1
InChIInChI=1S/C18H15NO4/c1-21-15-9-5-8-14(10-15)17-19-16(12-22-17)18(20)23-11-13-6-3-2-4-7-13/h2-10,12H,11H2,1H3
InChIKeyJLNAGBNRNGKVON-UHFFFAOYSA-N
MW309.32 g/mol
LogP3.71
Rot. Bonds5

About benzyl 2-(3-methoxyphenyl)-1,3-oxazole-4-carboxylate

benzyl 2-(3-methoxyphenyl)-1,3-oxazole-4-carboxylate (PubChem CID 46201740) has the molecular formula C18H15NO4 and a molecular weight of 309.32 g/mol. Its IUPAC name is benzyl 2-(3-methoxyphenyl)-1,3-oxazole-4-carboxylate.

Molecular Properties

Compound Namebenzyl 2-(3-methoxyphenyl)-1,3-oxazole-4-carboxylate
PubChem CID46201740
Molecular FormulaC18H15NO4
Molecular Weight309.32 g/mol
Exact Mass309.10
IUPAC Namebenzyl 2-(3-methoxyphenyl)-1,3-oxazole-4-carboxylate
SMILESCOc1cccc(-c2nc(C(=O)OCc3ccccc3)co2)c1
InChIInChI=1S/C18H15NO4/c1-21-15-9-5-8-14(10-15)17-19-16(12-22-17)18(20)23-11-13-6-3-2-4-7-13/h2-10,12H,11H2,1H3
InChIKeyJLNAGBNRNGKVON-UHFFFAOYSA-N
XLogP3.71
TPSA61.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.32
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

benzyl 2-[4-(2-methoxyphenyl)phenyl]-1,3-oxazole-4-carboxylate
CID 46210451
benzyl 2-(3-methoxyphenyl)-5-phenyl-1,3-oxazole-4-carboxylate
CID 44556824
benzyl 2-(6-bromo-3-pyridinyl)-1,3-oxazole-4-carboxylate
CID 46201474
benzyl 2-(2-fluoro-4-nitrophenyl)-1,3-oxazole-4-carboxylate
CID 46201431
methyl 2-(3-aminophenyl)-1,3-oxazole-4-carboxylate
CID 16731543
(3,5-dimethoxyphenyl)-(2-phenyl-1,3-oxazol-4-yl)methanone
CID 67120454
4-ethyl-2-(3-methoxyphenyl)-1,3-oxazole
CID 22352547
(2-phenyl-1,3-oxazol-4-yl)methyl 2-bromo-5-methoxybenzoate
CID 18085087
4-(chloromethyl)-2-(3-phenylmethoxyphenyl)-1,3-oxazole
CID 22009622
octyl 2-phenyl-1,3-oxazole-4-carboxylate
CID 71458299
4-(iodomethyl)-2-(3-methoxyphenyl)-1,3-oxazole
CID 57434521
2-(3-methoxyphenyl)-1,3-oxazole-4-carbaldehyde
CID 53407351

Frequently Asked Questions

What is the IUPAC name of benzyl 2-(3-methoxyphenyl)-1,3-oxazole-4-carboxylate?
The IUPAC name of benzyl 2-(3-methoxyphenyl)-1,3-oxazole-4-carboxylate (CID 46201740) is benzyl 2-(3-methoxyphenyl)-1,3-oxazole-4-carboxylate.
What is the SMILES notation for benzyl 2-(3-methoxyphenyl)-1,3-oxazole-4-carboxylate?
The canonical SMILES for benzyl 2-(3-methoxyphenyl)-1,3-oxazole-4-carboxylate is COc1cccc(-c2nc(C(=O)OCc3ccccc3)co2)c1.
What is the InChIKey of benzyl 2-(3-methoxyphenyl)-1,3-oxazole-4-carboxylate?
The InChIKey is JLNAGBNRNGKVON-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15NO4/c1-21-15-9-5-8-14(10-15)17-19-16(12-22-17)18(20)23-11-13-6-3-2-4-7-13/h2-10,12H,11H2,1H3.
What are the key properties of benzyl 2-(3-methoxyphenyl)-1,3-oxazole-4-carboxylate?
benzyl 2-(3-methoxyphenyl)-1,3-oxazole-4-carboxylate has a molecular weight of 309.32 g/mol, XLogP of 3.71, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 2-(3-methoxyphenyl)-1,3-oxazole-4-carboxylate is sourced from PubChem (CID 46201740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).