(3,5-dimethyl-1,2-oxazol-4-yl)methyl 3,5-dimethoxy-4-methylbenzoate

C16H19NO5 — CID 3881319

IUPAC(3,5-dimethyl-1,2-oxazol-4-yl)methyl 3,5-dimethoxy-4-methylbenzoate
SMILESCOc1cc(C(=O)OCc2c(C)noc2C)cc(OC)c1C
InChIInChI=1S/C16H19NO5/c1-9-14(19-4)6-12(7-15(9)20-5)16(18)21-8-13-10(2)17-22-11(13)3/h6-7H,8H2,1-5H3
InChIKeyFKYDUYYFBLZCDI-UHFFFAOYSA-N
MW305.33 g/mol
LogP2.97
Rot. Bonds5

About (3,5-dimethyl-1,2-oxazol-4-yl)methyl 3,5-dimethoxy-4-methylbenzoate

(3,5-dimethyl-1,2-oxazol-4-yl)methyl 3,5-dimethoxy-4-methylbenzoate (PubChem CID 3881319) has the molecular formula C16H19NO5 and a molecular weight of 305.33 g/mol. Its IUPAC name is (3,5-dimethyl-1,2-oxazol-4-yl)methyl 3,5-dimethoxy-4-methylbenzoate.

Molecular Properties

Compound Name(3,5-dimethyl-1,2-oxazol-4-yl)methyl 3,5-dimethoxy-4-methylbenzoate
PubChem CID3881319
Molecular FormulaC16H19NO5
Molecular Weight305.33 g/mol
Exact Mass305.13
IUPAC Name(3,5-dimethyl-1,2-oxazol-4-yl)methyl 3,5-dimethoxy-4-methylbenzoate
SMILESCOc1cc(C(=O)OCc2c(C)noc2C)cc(OC)c1C
InChIInChI=1S/C16H19NO5/c1-9-14(19-4)6-12(7-15(9)20-5)16(18)21-8-13-10(2)17-22-11(13)3/h6-7H,8H2,1-5H3
InChIKeyFKYDUYYFBLZCDI-UHFFFAOYSA-N
XLogP2.97
TPSA70.79 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.33
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(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 2,6-dimethoxybenzoate
CID 18074027
(3,5-dimethyl-1,2-oxazol-4-yl)methyl 2-hydroxy-3-methoxybenzoate
CID 18075732
(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 5,6,7,8-tetrahydronaphthalene-2-carboxylate
CID 55392584
1-[3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-4-methoxyphenyl]ethanone
CID 117052461
(2-fluorophenyl)methyl 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxybenzoate
CID 8524767
[2-(tert-butylamino)-2-oxoethyl] 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxybenzoate
CID 2537486
2-(4-methoxyphenoxy)ethyl 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxybenzoate
CID 5244662
(3,5-dimethyl-1,2-oxazol-4-yl)methyl 1-methylpyrazole-4-carboxylate
CID 18122654
[2-(4-fluorophenyl)-2-oxoethyl] 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxybenzoate
CID 2637493
(3,5-dimethyl-1,2-oxazol-4-yl)methyl 2-(3,4-dimethoxyphenyl)acetate
CID 7766233

Frequently Asked Questions

What is the IUPAC name of (3,5-dimethyl-1,2-oxazol-4-yl)methyl 3,5-dimethoxy-4-methylbenzoate?
The IUPAC name of (3,5-dimethyl-1,2-oxazol-4-yl)methyl 3,5-dimethoxy-4-methylbenzoate (CID 3881319) is (3,5-dimethyl-1,2-oxazol-4-yl)methyl 3,5-dimethoxy-4-methylbenzoate.
What is the SMILES notation for (3,5-dimethyl-1,2-oxazol-4-yl)methyl 3,5-dimethoxy-4-methylbenzoate?
The canonical SMILES for (3,5-dimethyl-1,2-oxazol-4-yl)methyl 3,5-dimethoxy-4-methylbenzoate is COc1cc(C(=O)OCc2c(C)noc2C)cc(OC)c1C.
What is the InChIKey of (3,5-dimethyl-1,2-oxazol-4-yl)methyl 3,5-dimethoxy-4-methylbenzoate?
The InChIKey is FKYDUYYFBLZCDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO5/c1-9-14(19-4)6-12(7-15(9)20-5)16(18)21-8-13-10(2)17-22-11(13)3/h6-7H,8H2,1-5H3.
What are the key properties of (3,5-dimethyl-1,2-oxazol-4-yl)methyl 3,5-dimethoxy-4-methylbenzoate?
(3,5-dimethyl-1,2-oxazol-4-yl)methyl 3,5-dimethoxy-4-methylbenzoate has a molecular weight of 305.33 g/mol, XLogP of 2.97, 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 3,5-dimethoxy-4-methylbenzoate is sourced from PubChem (CID 3881319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).