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

C21H21NO5 — CID 32713086

IUPAC(3-methoxyphenyl)methyl 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoate
SMILESCOc1cccc(COC(=O)c2ccc(OCc3c(C)noc3C)cc2)c1
InChIInChI=1S/C21H21NO5/c1-14-20(15(2)27-22-14)13-25-18-9-7-17(8-10-18)21(23)26-12-16-5-4-6-19(11-16)24-3/h4-11H,12-13H2,1-3H3
InChIKeyLPZCLNOFLHXTRD-UHFFFAOYSA-N
MW367.40 g/mol
LogP4.24
Rot. Bonds7

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

(3-methoxyphenyl)methyl 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoate (PubChem CID 32713086) has the molecular formula C21H21NO5 and a molecular weight of 367.40 g/mol. Its IUPAC name is (3-methoxyphenyl)methyl 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoate.

Molecular Properties

Compound Name(3-methoxyphenyl)methyl 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoate
PubChem CID32713086
Molecular FormulaC21H21NO5
Molecular Weight367.40 g/mol
Exact Mass367.14
IUPAC Name(3-methoxyphenyl)methyl 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoate
SMILESCOc1cccc(COC(=O)c2ccc(OCc3c(C)noc3C)cc2)c1
InChIInChI=1S/C21H21NO5/c1-14-20(15(2)27-22-14)13-25-18-9-7-17(8-10-18)21(23)26-12-16-5-4-6-19(11-16)24-3/h4-11H,12-13H2,1-3H3
InChIKeyLPZCLNOFLHXTRD-UHFFFAOYSA-N
XLogP4.24
TPSA70.79 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.40
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(3,4-dichlorophenyl)methyl 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoate
CID 7186411
methyl 3-[[2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]acetyl]oxymethyl]benzoate
CID 7771176
2-(3-chlorophenoxy)ethyl 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoate
CID 8850253
4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxy-N-[(3-methoxyphenyl)methyl]benzamide
CID 27231637
[2-(3-ethylanilino)-2-oxoethyl] 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoate
CID 7625845
methyl 5-[[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoyl]oxymethyl]-2-methylfuran-3-carboxylate
CID 7625888
2-(4-methoxyphenoxy)ethyl 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxybenzoate
CID 5244662
[2-(dimethylamino)-2-oxoethyl] 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoate
CID 7625862
(3-fluorophenyl)methyl 2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]acetate
CID 41237682
4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[(6-methoxynaphthalen-2-yl)methyl]benzamide
CID 30177336
[2-(4-ethoxyphenyl)-2-oxoethyl] 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoate
CID 4797668
cyanomethyl 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoate
CID 2637058

Frequently Asked Questions

What is the IUPAC name of (3-methoxyphenyl)methyl 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoate?
The IUPAC name of (3-methoxyphenyl)methyl 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoate (CID 32713086) is (3-methoxyphenyl)methyl 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoate.
What is the SMILES notation for (3-methoxyphenyl)methyl 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoate?
The canonical SMILES for (3-methoxyphenyl)methyl 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoate is COc1cccc(COC(=O)c2ccc(OCc3c(C)noc3C)cc2)c1.
What is the InChIKey of (3-methoxyphenyl)methyl 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoate?
The InChIKey is LPZCLNOFLHXTRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21NO5/c1-14-20(15(2)27-22-14)13-25-18-9-7-17(8-10-18)21(23)26-12-16-5-4-6-19(11-16)24-3/h4-11H,12-13H2,1-3H3.
What are the key properties of (3-methoxyphenyl)methyl 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoate?
(3-methoxyphenyl)methyl 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoate has a molecular weight of 367.40 g/mol, XLogP of 4.24, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methoxyphenyl)methyl 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoate is sourced from PubChem (CID 32713086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).