ethyl 5-(3-methoxyphenyl)-1,2-oxazole-3-carboxylate

C13H13NO4 — CID 53439047

IUPACethyl 5-(3-methoxyphenyl)-1,2-oxazole-3-carboxylate
SMILESCCOC(=O)c1cc(-c2cccc(OC)c2)on1
InChIInChI=1S/C13H13NO4/c1-3-17-13(15)11-8-12(18-14-11)9-5-4-6-10(7-9)16-2/h4-8H,3H2,1-2H3
InChIKeyIYVNNFAVPARPGW-UHFFFAOYSA-N
MW247.25 g/mol
LogP2.53
Rot. Bonds4

About ethyl 5-(3-methoxyphenyl)-1,2-oxazole-3-carboxylate

ethyl 5-(3-methoxyphenyl)-1,2-oxazole-3-carboxylate (PubChem CID 53439047) has the molecular formula C13H13NO4 and a molecular weight of 247.25 g/mol. Its IUPAC name is ethyl 5-(3-methoxyphenyl)-1,2-oxazole-3-carboxylate.

Molecular Properties

Compound Nameethyl 5-(3-methoxyphenyl)-1,2-oxazole-3-carboxylate
PubChem CID53439047
Molecular FormulaC13H13NO4
Molecular Weight247.25 g/mol
Exact Mass247.08
IUPAC Nameethyl 5-(3-methoxyphenyl)-1,2-oxazole-3-carboxylate
SMILESCCOC(=O)c1cc(-c2cccc(OC)c2)on1
InChIInChI=1S/C13H13NO4/c1-3-17-13(15)11-8-12(18-14-11)9-5-4-6-10(7-9)16-2/h4-8H,3H2,1-2H3
InChIKeyIYVNNFAVPARPGW-UHFFFAOYSA-N
XLogP2.53
TPSA61.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.25
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 5-[3-[tert-butyl(diphenyl)silyl]oxyphenyl]-1,2-oxazole-3-carboxylate
CID 44818827
ethyl 5-[3-[(3-fluorophenyl)methoxy]phenyl]-1,2-oxazole-3-carboxylate
CID 44819362
ethyl 5-[3-[(2,3,6-trifluorophenyl)methoxy]phenyl]-1,2-oxazole-3-carboxylate
CID 44819890
ethyl 5-(2,5-dimethoxyphenyl)-1,2-oxazole-3-carboxylate
CID 154791670
[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]methyl 2-methylbenzoate
CID 16869792
5-(3-methoxyphenyl)-N-pentyl-1,2-oxazole-3-carboxamide
CID 110317131
ethyl 5-(4-chlorophenyl)-1,2-oxazole-3-carboxylate
CID 13035537
ethyl 2-[2-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]ethylamino]-2-oxoacetate
CID 110314824
[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]-pyrrolidin-1-ylmethanone
CID 22427421
ethyl 2-(3-methoxyphenyl)pyrimidine-4-carboxylate
CID 113341045
methyl 5-[3-(trifluoromethoxy)phenyl]-1,2-oxazole-3-carboxylate
CID 154791532
[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]methanamine;hydrochloride
CID 50998515

Frequently Asked Questions

What is the IUPAC name of ethyl 5-(3-methoxyphenyl)-1,2-oxazole-3-carboxylate?
The IUPAC name of ethyl 5-(3-methoxyphenyl)-1,2-oxazole-3-carboxylate (CID 53439047) is ethyl 5-(3-methoxyphenyl)-1,2-oxazole-3-carboxylate.
What is the SMILES notation for ethyl 5-(3-methoxyphenyl)-1,2-oxazole-3-carboxylate?
The canonical SMILES for ethyl 5-(3-methoxyphenyl)-1,2-oxazole-3-carboxylate is CCOC(=O)c1cc(-c2cccc(OC)c2)on1.
What is the InChIKey of ethyl 5-(3-methoxyphenyl)-1,2-oxazole-3-carboxylate?
The InChIKey is IYVNNFAVPARPGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO4/c1-3-17-13(15)11-8-12(18-14-11)9-5-4-6-10(7-9)16-2/h4-8H,3H2,1-2H3.
What are the key properties of ethyl 5-(3-methoxyphenyl)-1,2-oxazole-3-carboxylate?
ethyl 5-(3-methoxyphenyl)-1,2-oxazole-3-carboxylate has a molecular weight of 247.25 g/mol, XLogP of 2.53, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-(3-methoxyphenyl)-1,2-oxazole-3-carboxylate is sourced from PubChem (CID 53439047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).