(3,5-dimethyl-1,2-oxazol-4-yl)methyl 2,6-dimethoxybenzoate

C15H17NO5 — CID 18074027

IUPAC(3,5-dimethyl-1,2-oxazol-4-yl)methyl 2,6-dimethoxybenzoate
SMILESCOc1cccc(OC)c1C(=O)OCc1c(C)noc1C
InChIInChI=1S/C15H17NO5/c1-9-11(10(2)21-16-9)8-20-15(17)14-12(18-3)6-5-7-13(14)19-4/h5-7H,8H2,1-4H3
InChIKeyCQASDWDKORZXHJ-UHFFFAOYSA-N
MW291.30 g/mol
LogP2.67
Rot. Bonds5

About (3,5-dimethyl-1,2-oxazol-4-yl)methyl 2,6-dimethoxybenzoate

(3,5-dimethyl-1,2-oxazol-4-yl)methyl 2,6-dimethoxybenzoate (PubChem CID 18074027) has the molecular formula C15H17NO5 and a molecular weight of 291.30 g/mol. Its IUPAC name is (3,5-dimethyl-1,2-oxazol-4-yl)methyl 2,6-dimethoxybenzoate.

Molecular Properties

Compound Name(3,5-dimethyl-1,2-oxazol-4-yl)methyl 2,6-dimethoxybenzoate
PubChem CID18074027
Molecular FormulaC15H17NO5
Molecular Weight291.30 g/mol
Exact Mass291.11
IUPAC Name(3,5-dimethyl-1,2-oxazol-4-yl)methyl 2,6-dimethoxybenzoate
SMILESCOc1cccc(OC)c1C(=O)OCc1c(C)noc1C
InChIInChI=1S/C15H17NO5/c1-9-11(10(2)21-16-9)8-20-15(17)14-12(18-3)6-5-7-13(14)19-4/h5-7H,8H2,1-4H3
InChIKeyCQASDWDKORZXHJ-UHFFFAOYSA-N
XLogP2.67
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 ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(3,5-dimethyl-1,2-oxazol-4-yl)methyl 2-hydroxy-3-methoxybenzoate
CID 18075732
(3,5-dimethyl-1,2-oxazol-4-yl)methyl 3,5-dimethoxy-4-methylbenzoate
CID 3881319
methyl 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxybenzoate
CID 117054172
(3,5-dimethyl-1,2-oxazol-4-yl)methyl 2,3-dimethylbenzoate
CID 2364748
(3,5-dimethyl-1,2-oxazol-4-yl)methyl 3-chloro-4,5-dimethoxybenzoate
CID 4781182
(3,5-dimethyl-1,2-oxazol-4-yl)methyl 4-amino-5-chloro-2-methoxybenzoate
CID 18127735
(3,5-dimethyl-1,2-oxazol-4-yl)methyl 2-(3,4-dimethoxyphenyl)acetate
CID 7766233
(3,5-dimethyl-1,2-oxazol-4-yl)methyl 3-hydroxynaphthalene-2-carboxylate
CID 2098412
(3,5-dimethyl-1,2-oxazol-4-yl)methyl 2-[(2-chlorobenzoyl)amino]-4,5-dimethoxybenzoate
CID 31133315
(4-tert-butyl-2,6-dimethylphenyl)methyl 2,6-dimethoxybenzoate
CID 3500563
(3,5-dimethyl-1,2-oxazol-4-yl)methyl 3-methyl-2-phenylquinoline-4-carboxylate
CID 4533117
(3-methoxyphenyl)methyl 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoate
CID 32713086

Frequently Asked Questions

What is the IUPAC name of (3,5-dimethyl-1,2-oxazol-4-yl)methyl 2,6-dimethoxybenzoate?
The IUPAC name of (3,5-dimethyl-1,2-oxazol-4-yl)methyl 2,6-dimethoxybenzoate (CID 18074027) is (3,5-dimethyl-1,2-oxazol-4-yl)methyl 2,6-dimethoxybenzoate.
What is the SMILES notation for (3,5-dimethyl-1,2-oxazol-4-yl)methyl 2,6-dimethoxybenzoate?
The canonical SMILES for (3,5-dimethyl-1,2-oxazol-4-yl)methyl 2,6-dimethoxybenzoate is COc1cccc(OC)c1C(=O)OCc1c(C)noc1C.
What is the InChIKey of (3,5-dimethyl-1,2-oxazol-4-yl)methyl 2,6-dimethoxybenzoate?
The InChIKey is CQASDWDKORZXHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO5/c1-9-11(10(2)21-16-9)8-20-15(17)14-12(18-3)6-5-7-13(14)19-4/h5-7H,8H2,1-4H3.
What are the key properties of (3,5-dimethyl-1,2-oxazol-4-yl)methyl 2,6-dimethoxybenzoate?
(3,5-dimethyl-1,2-oxazol-4-yl)methyl 2,6-dimethoxybenzoate has a molecular weight of 291.30 g/mol, XLogP of 2.67, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dimethyl-1,2-oxazol-4-yl)methyl 2,6-dimethoxybenzoate is sourced from PubChem (CID 18074027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).