(3-methyl-1,2-oxazol-5-yl)methyl 3,4-dimethoxy-5-[(E)-prop-1-enyl]benzoate

C17H19NO5 — CID 18103101

IUPAC(3-methyl-1,2-oxazol-5-yl)methyl 3,4-dimethoxy-5-[(E)-prop-1-enyl]benzoate
SMILESC/C=C/c1cc(C(=O)OCc2cc(C)no2)cc(OC)c1OC
InChIInChI=1S/C17H19NO5/c1-5-6-12-8-13(9-15(20-3)16(12)21-4)17(19)22-10-14-7-11(2)18-23-14/h5-9H,10H2,1-4H3/b6-5+
InChIKeyKWYVVXFRRDTDHA-AATRIKPKSA-N
MW317.34 g/mol
LogP3.39
Rot. Bonds6

About (3-methyl-1,2-oxazol-5-yl)methyl 3,4-dimethoxy-5-[(E)-prop-1-enyl]benzoate

(3-methyl-1,2-oxazol-5-yl)methyl 3,4-dimethoxy-5-[(E)-prop-1-enyl]benzoate (PubChem CID 18103101) has the molecular formula C17H19NO5 and a molecular weight of 317.34 g/mol. Its IUPAC name is (3-methyl-1,2-oxazol-5-yl)methyl 3,4-dimethoxy-5-[(E)-prop-1-enyl]benzoate.

Molecular Properties

Compound Name(3-methyl-1,2-oxazol-5-yl)methyl 3,4-dimethoxy-5-[(E)-prop-1-enyl]benzoate
PubChem CID18103101
Molecular FormulaC17H19NO5
Molecular Weight317.34 g/mol
Exact Mass317.13
IUPAC Name(3-methyl-1,2-oxazol-5-yl)methyl 3,4-dimethoxy-5-[(E)-prop-1-enyl]benzoate
SMILESC/C=C/c1cc(C(=O)OCc2cc(C)no2)cc(OC)c1OC
InChIInChI=1S/C17H19NO5/c1-5-6-12-8-13(9-15(20-3)16(12)21-4)17(19)22-10-14-7-11(2)18-23-14/h5-9H,10H2,1-4H3/b6-5+
InChIKeyKWYVVXFRRDTDHA-AATRIKPKSA-N
XLogP3.39
TPSA70.79 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.34
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (3-methyl-1,2-oxazol-5-yl)methyl 3,4-dimethoxy-5-[(E)-prop-1-enyl]benzoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3-methyl-1,2-oxazol-5-yl)methyl 3,4-dimethoxybenzoate
CID 18099550
(3-methyl-1,2-oxazol-5-yl)methyl 2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetate
CID 39603297
(3,5-dimethyl-1,2-oxazol-4-yl)methyl 3-chloro-4,5-dimethoxybenzoate
CID 4781182
5-[(4-ethenyl-2,6-dimethoxyphenoxy)methyl]-3-methyl-1,2-oxazole
CID 71995338
(3-methyl-1,2-oxazol-5-yl)methyl 3-hydroxy-4-methylbenzoate
CID 18123565
ethyl 4-[3,4-dimethoxy-5-[(E)-prop-1-enyl]benzoyl]piperazine-1-carboxylate
CID 16573483
(3-phenyl-1,2-oxazol-5-yl)methyl 3,5-dimethoxy-4-methylbenzoate
CID 30036377
(3,5-dimethyl-1,2-oxazol-4-yl)methyl 3,5-dimethoxy-4-methylbenzoate
CID 3881319
(3-methyl-1,2-oxazol-5-yl)methyl 4-acetamidobenzoate
CID 18098473
(3-methyl-1,2-oxazol-5-yl)methyl 3-acetamidobenzoate
CID 18099607
[2-[(3-methyl-1,2-oxazol-5-yl)amino]-2-oxoethyl] 3-chloro-4,5-dimethoxybenzoate
CID 18157227
3,4-dimethoxy-5-[(E)-prop-1-enyl]-N-prop-2-enylbenzamide
CID 17456116

Frequently Asked Questions

What is the IUPAC name of (3-methyl-1,2-oxazol-5-yl)methyl 3,4-dimethoxy-5-[(E)-prop-1-enyl]benzoate?
The IUPAC name of (3-methyl-1,2-oxazol-5-yl)methyl 3,4-dimethoxy-5-[(E)-prop-1-enyl]benzoate (CID 18103101) is (3-methyl-1,2-oxazol-5-yl)methyl 3,4-dimethoxy-5-[(E)-prop-1-enyl]benzoate.
What is the SMILES notation for (3-methyl-1,2-oxazol-5-yl)methyl 3,4-dimethoxy-5-[(E)-prop-1-enyl]benzoate?
The canonical SMILES for (3-methyl-1,2-oxazol-5-yl)methyl 3,4-dimethoxy-5-[(E)-prop-1-enyl]benzoate is C/C=C/c1cc(C(=O)OCc2cc(C)no2)cc(OC)c1OC.
What is the InChIKey of (3-methyl-1,2-oxazol-5-yl)methyl 3,4-dimethoxy-5-[(E)-prop-1-enyl]benzoate?
The InChIKey is KWYVVXFRRDTDHA-AATRIKPKSA-N. The full InChI is InChI=1S/C17H19NO5/c1-5-6-12-8-13(9-15(20-3)16(12)21-4)17(19)22-10-14-7-11(2)18-23-14/h5-9H,10H2,1-4H3/b6-5+.
What are the key properties of (3-methyl-1,2-oxazol-5-yl)methyl 3,4-dimethoxy-5-[(E)-prop-1-enyl]benzoate?
(3-methyl-1,2-oxazol-5-yl)methyl 3,4-dimethoxy-5-[(E)-prop-1-enyl]benzoate has a molecular weight of 317.34 g/mol, XLogP of 3.39, 6 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-dimethoxy-5-[(E)-prop-1-enyl]benzoate is sourced from PubChem (CID 18103101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).