methyl 3-methoxy-4-[1-(3-methyl-1,2-oxazol-5-yl)ethoxy]benzoate

C15H17NO5 — CID 117053368

IUPACmethyl 3-methoxy-4-[1-(3-methyl-1,2-oxazol-5-yl)ethoxy]benzoate
SMILESCOC(=O)c1ccc(OC(C)c2cc(C)no2)c(OC)c1
InChIInChI=1S/C15H17NO5/c1-9-7-13(21-16-9)10(2)20-12-6-5-11(15(17)19-4)8-14(12)18-3/h5-8,10H,1-4H3
InChIKeySIQMHMSPNNXYQG-UHFFFAOYSA-N
MW291.30 g/mol
LogP2.92
Rot. Bonds5

About methyl 3-methoxy-4-[1-(3-methyl-1,2-oxazol-5-yl)ethoxy]benzoate

methyl 3-methoxy-4-[1-(3-methyl-1,2-oxazol-5-yl)ethoxy]benzoate (PubChem CID 117053368) has the molecular formula C15H17NO5 and a molecular weight of 291.30 g/mol. Its IUPAC name is methyl 3-methoxy-4-[1-(3-methyl-1,2-oxazol-5-yl)ethoxy]benzoate.

Molecular Properties

Compound Namemethyl 3-methoxy-4-[1-(3-methyl-1,2-oxazol-5-yl)ethoxy]benzoate
PubChem CID117053368
Molecular FormulaC15H17NO5
Molecular Weight291.30 g/mol
Exact Mass291.11
IUPAC Namemethyl 3-methoxy-4-[1-(3-methyl-1,2-oxazol-5-yl)ethoxy]benzoate
SMILESCOC(=O)c1ccc(OC(C)c2cc(C)no2)c(OC)c1
InChIInChI=1S/C15H17NO5/c1-9-7-13(21-16-9)10(2)20-12-6-5-11(15(17)19-4)8-14(12)18-3/h5-8,10H,1-4H3
InChIKeySIQMHMSPNNXYQG-UHFFFAOYSA-N
XLogP2.92
TPSA70.79 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.30
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 3-methoxy-4-[1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl]oxybenzoate
CID 24511790
methyl 3-methoxy-4-[(1S)-1-phenylethoxy]benzoate
CID 121407788
ethane;methyl 4-(1-hydroxypropan-2-yloxy)-3-methoxybenzoate
CID 145145919
(3-methyl-1,2-oxazol-5-yl)methyl 3,4-dimethoxybenzoate
CID 18099550
methyl 3-methoxy-4-(1-nitroso-1-oxopropan-2-yl)oxybenzoate
CID 89049425
methyl 4-methyl-3-propan-2-yloxybenzoate
CID 23157412
methyl 3-methyl-4-propan-2-yloxybenzoate
CID 58439062
methyl 4-[(2S)-1-(3,4-dimethoxyanilino)-1-oxopropan-2-yl]oxy-3-methoxybenzoate
CID 8729040
methyl 3-methoxy-4-[(2S)-1-(2-methoxy-5-methylanilino)-1-oxopropan-2-yl]oxybenzoate
CID 8729011
methyl 3-methoxy-4-[3-(2-methoxy-4-methoxycarbonylphenoxy)propoxy]benzoate
CID 15167932
methyl 4-[(2R)-1-(benzylamino)-1-oxopropan-2-yl]oxy-3-methoxybenzoate
CID 92752909
methyl 4-[2-(3,4-dimethylphenoxy)propanoyloxy]-3-methoxybenzoate
CID 2900157

Frequently Asked Questions

What is the IUPAC name of methyl 3-methoxy-4-[1-(3-methyl-1,2-oxazol-5-yl)ethoxy]benzoate?
The IUPAC name of methyl 3-methoxy-4-[1-(3-methyl-1,2-oxazol-5-yl)ethoxy]benzoate (CID 117053368) is methyl 3-methoxy-4-[1-(3-methyl-1,2-oxazol-5-yl)ethoxy]benzoate.
What is the SMILES notation for methyl 3-methoxy-4-[1-(3-methyl-1,2-oxazol-5-yl)ethoxy]benzoate?
The canonical SMILES for methyl 3-methoxy-4-[1-(3-methyl-1,2-oxazol-5-yl)ethoxy]benzoate is COC(=O)c1ccc(OC(C)c2cc(C)no2)c(OC)c1.
What is the InChIKey of methyl 3-methoxy-4-[1-(3-methyl-1,2-oxazol-5-yl)ethoxy]benzoate?
The InChIKey is SIQMHMSPNNXYQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO5/c1-9-7-13(21-16-9)10(2)20-12-6-5-11(15(17)19-4)8-14(12)18-3/h5-8,10H,1-4H3.
What are the key properties of methyl 3-methoxy-4-[1-(3-methyl-1,2-oxazol-5-yl)ethoxy]benzoate?
methyl 3-methoxy-4-[1-(3-methyl-1,2-oxazol-5-yl)ethoxy]benzoate has a molecular weight of 291.30 g/mol, XLogP of 2.92, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-methoxy-4-[1-(3-methyl-1,2-oxazol-5-yl)ethoxy]benzoate is sourced from PubChem (CID 117053368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).