methyl 4-[2-(2-methoxyphenyl)-4-methyl-1,3-oxazol-5-yl]butanoate

C16H19NO4 — CID 59167805

IUPACmethyl 4-[2-(2-methoxyphenyl)-4-methyl-1,3-oxazol-5-yl]butanoate
SMILESCOC(=O)CCCc1oc(-c2ccccc2OC)nc1C
InChIInChI=1S/C16H19NO4/c1-11-13(9-6-10-15(18)20-3)21-16(17-11)12-7-4-5-8-14(12)19-2/h4-5,7-8H,6,9-10H2,1-3H3
InChIKeyZKRSMEISOPCWJR-UHFFFAOYSA-N
MW289.33 g/mol
LogP3.15
Rot. Bonds6

About methyl 4-[2-(2-methoxyphenyl)-4-methyl-1,3-oxazol-5-yl]butanoate

methyl 4-[2-(2-methoxyphenyl)-4-methyl-1,3-oxazol-5-yl]butanoate (PubChem CID 59167805) has the molecular formula C16H19NO4 and a molecular weight of 289.33 g/mol. Its IUPAC name is methyl 4-[2-(2-methoxyphenyl)-4-methyl-1,3-oxazol-5-yl]butanoate.

Molecular Properties

Compound Namemethyl 4-[2-(2-methoxyphenyl)-4-methyl-1,3-oxazol-5-yl]butanoate
PubChem CID59167805
Molecular FormulaC16H19NO4
Molecular Weight289.33 g/mol
Exact Mass289.13
IUPAC Namemethyl 4-[2-(2-methoxyphenyl)-4-methyl-1,3-oxazol-5-yl]butanoate
SMILESCOC(=O)CCCc1oc(-c2ccccc2OC)nc1C
InChIInChI=1S/C16H19NO4/c1-11-13(9-6-10-15(18)20-3)21-16(17-11)12-7-4-5-8-14(12)19-2/h4-5,7-8H,6,9-10H2,1-3H3
InChIKeyZKRSMEISOPCWJR-UHFFFAOYSA-N
XLogP3.15
TPSA61.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.33
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 5-[2-(2-methoxyphenyl)-1,3-oxazol-4-yl]pentanoate
CID 59167756
trimethylsilyl 4-(2-methoxyphenyl)butanoate
CID 584242
N-(2-methoxyphenyl)-2-[2-(2-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]acetamide
CID 110421860
ethyl 4-ethyl-2-(2-methoxyphenyl)-1,3-oxazole-5-carboxylate
CID 104842680
2-hydroxyethyl 2-(2-methoxyphenyl)-5-methyl-1,3-oxazole-4-carboxylate
CID 147326313
methyl 4-[3-(2-methoxyphenyl)propanoyl-methylamino]butanoate
CID 60714452
N-[2-(2,4-dimethyl-1,3-oxazol-5-yl)ethyl]-2,6-dimethoxybenzamide
CID 110718737
2-[2-(2-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]-N-(2-thiophen-2-ylethyl)acetamide
CID 110673689
2-[2-(2-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]-N-(2-methylsulfonylethyl)acetamide
CID 110612399
methyl 4-(4-methoxy-2,3-dimethylphenyl)butanoate
CID 98784005
N-(2-methoxyphenyl)-3-[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]propanamide
CID 110334805
N-[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]butanamide
CID 3359112

Frequently Asked Questions

What is the IUPAC name of methyl 4-[2-(2-methoxyphenyl)-4-methyl-1,3-oxazol-5-yl]butanoate?
The IUPAC name of methyl 4-[2-(2-methoxyphenyl)-4-methyl-1,3-oxazol-5-yl]butanoate (CID 59167805) is methyl 4-[2-(2-methoxyphenyl)-4-methyl-1,3-oxazol-5-yl]butanoate.
What is the SMILES notation for methyl 4-[2-(2-methoxyphenyl)-4-methyl-1,3-oxazol-5-yl]butanoate?
The canonical SMILES for methyl 4-[2-(2-methoxyphenyl)-4-methyl-1,3-oxazol-5-yl]butanoate is COC(=O)CCCc1oc(-c2ccccc2OC)nc1C.
What is the InChIKey of methyl 4-[2-(2-methoxyphenyl)-4-methyl-1,3-oxazol-5-yl]butanoate?
The InChIKey is ZKRSMEISOPCWJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO4/c1-11-13(9-6-10-15(18)20-3)21-16(17-11)12-7-4-5-8-14(12)19-2/h4-5,7-8H,6,9-10H2,1-3H3.
What are the key properties of methyl 4-[2-(2-methoxyphenyl)-4-methyl-1,3-oxazol-5-yl]butanoate?
methyl 4-[2-(2-methoxyphenyl)-4-methyl-1,3-oxazol-5-yl]butanoate has a molecular weight of 289.33 g/mol, XLogP of 3.15, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[2-(2-methoxyphenyl)-4-methyl-1,3-oxazol-5-yl]butanoate is sourced from PubChem (CID 59167805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).