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

C14H15NO5 — CID 18099550

IUPAC(3-methyl-1,2-oxazol-5-yl)methyl 3,4-dimethoxybenzoate
SMILESCOc1ccc(C(=O)OCc2cc(C)no2)cc1OC
InChIInChI=1S/C14H15NO5/c1-9-6-11(20-15-9)8-19-14(16)10-4-5-12(17-2)13(7-10)18-3/h4-7H,8H2,1-3H3
InChIKeyVVRCZRDWNZGBSW-UHFFFAOYSA-N
MW277.28 g/mol
LogP2.36
Rot. Bonds5

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

(3-methyl-1,2-oxazol-5-yl)methyl 3,4-dimethoxybenzoate (PubChem CID 18099550) has the molecular formula C14H15NO5 and a molecular weight of 277.28 g/mol. Its IUPAC name is (3-methyl-1,2-oxazol-5-yl)methyl 3,4-dimethoxybenzoate.

Molecular Properties

Compound Name(3-methyl-1,2-oxazol-5-yl)methyl 3,4-dimethoxybenzoate
PubChem CID18099550
Molecular FormulaC14H15NO5
Molecular Weight277.28 g/mol
Exact Mass277.10
IUPAC Name(3-methyl-1,2-oxazol-5-yl)methyl 3,4-dimethoxybenzoate
SMILESCOc1ccc(C(=O)OCc2cc(C)no2)cc1OC
InChIInChI=1S/C14H15NO5/c1-9-6-11(20-15-9)8-19-14(16)10-4-5-12(17-2)13(7-10)18-3/h4-7H,8H2,1-3H3
InChIKeyVVRCZRDWNZGBSW-UHFFFAOYSA-N
XLogP2.36
TPSA70.79 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.28
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(3-methyl-1,2-oxazol-5-yl)methyl 3-hydroxy-4-methylbenzoate
CID 18123565
(3-methyl-1,2-oxazol-5-yl)methyl 3,4-dimethoxy-5-[(E)-prop-1-enyl]benzoate
CID 18103101
5-[2-(3,4-dimethoxyphenyl)prop-2-enyl]-3-methyl-1,2-oxazole
CID 58549981
(3-methyl-1,2-oxazol-5-yl)methyl 4-acetamidobenzoate
CID 18098473
[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl 3,4-dimethoxybenzoate
CID 40747862
(3-methyl-1,2-oxazol-5-yl)methyl 3,4-dihydro-2H-1,5-benzodioxepine-7-carboxylate
CID 18100306
(3-methyl-1,2-oxazol-5-yl)methyl 4-(methylsulfonylmethyl)benzoate
CID 31801590
(3-methyl-1,2-oxazol-5-yl)methyl 4-chloro-3-sulfamoylbenzoate
CID 32709670
(3-methyl-1,2-oxazol-5-yl)methyl 3-acetamidobenzoate
CID 18099607
(3-methyl-1,2-oxazol-5-yl)methyl 4-(1,3-dithiolan-2-yl)benzoate
CID 33084402
(3-methyl-1,2-oxazol-5-yl)methyl 2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetate
CID 39603297
(3-phenyl-1,2-oxazol-5-yl)methyl 3,5-dimethoxy-4-methylbenzoate
CID 30036377

Frequently Asked Questions

What is the IUPAC name of (3-methyl-1,2-oxazol-5-yl)methyl 3,4-dimethoxybenzoate?
The IUPAC name of (3-methyl-1,2-oxazol-5-yl)methyl 3,4-dimethoxybenzoate (CID 18099550) is (3-methyl-1,2-oxazol-5-yl)methyl 3,4-dimethoxybenzoate.
What is the SMILES notation for (3-methyl-1,2-oxazol-5-yl)methyl 3,4-dimethoxybenzoate?
The canonical SMILES for (3-methyl-1,2-oxazol-5-yl)methyl 3,4-dimethoxybenzoate is COc1ccc(C(=O)OCc2cc(C)no2)cc1OC.
What is the InChIKey of (3-methyl-1,2-oxazol-5-yl)methyl 3,4-dimethoxybenzoate?
The InChIKey is VVRCZRDWNZGBSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO5/c1-9-6-11(20-15-9)8-19-14(16)10-4-5-12(17-2)13(7-10)18-3/h4-7H,8H2,1-3H3.
What are the key properties of (3-methyl-1,2-oxazol-5-yl)methyl 3,4-dimethoxybenzoate?
(3-methyl-1,2-oxazol-5-yl)methyl 3,4-dimethoxybenzoate has a molecular weight of 277.28 g/mol, XLogP of 2.36, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methyl-1,2-oxazol-5-yl)methyl 3,4-dimethoxybenzoate is sourced from PubChem (CID 18099550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).