(3-methyl-1,2-oxazol-5-yl)methyl 3-(2,3-dimethoxyphenyl)propanoate

C16H19NO5 — CID 55445109

IUPAC(3-methyl-1,2-oxazol-5-yl)methyl 3-(2,3-dimethoxyphenyl)propanoate
SMILESCOc1cccc(CCC(=O)OCc2cc(C)no2)c1OC
InChIInChI=1S/C16H19NO5/c1-11-9-13(22-17-11)10-21-15(18)8-7-12-5-4-6-14(19-2)16(12)20-3/h4-6,9H,7-8,10H2,1-3H3
InChIKeyUOWYWYCCFKVDOH-UHFFFAOYSA-N
MW305.33 g/mol
LogP2.68
Rot. Bonds7

About (3-methyl-1,2-oxazol-5-yl)methyl 3-(2,3-dimethoxyphenyl)propanoate

(3-methyl-1,2-oxazol-5-yl)methyl 3-(2,3-dimethoxyphenyl)propanoate (PubChem CID 55445109) has the molecular formula C16H19NO5 and a molecular weight of 305.33 g/mol. Its IUPAC name is (3-methyl-1,2-oxazol-5-yl)methyl 3-(2,3-dimethoxyphenyl)propanoate.

Molecular Properties

Compound Name(3-methyl-1,2-oxazol-5-yl)methyl 3-(2,3-dimethoxyphenyl)propanoate
PubChem CID55445109
Molecular FormulaC16H19NO5
Molecular Weight305.33 g/mol
Exact Mass305.13
IUPAC Name(3-methyl-1,2-oxazol-5-yl)methyl 3-(2,3-dimethoxyphenyl)propanoate
SMILESCOc1cccc(CCC(=O)OCc2cc(C)no2)c1OC
InChIInChI=1S/C16H19NO5/c1-11-9-13(22-17-11)10-21-15(18)8-7-12-5-4-6-14(19-2)16(12)20-3/h4-6,9H,7-8,10H2,1-3H3
InChIKeyUOWYWYCCFKVDOH-UHFFFAOYSA-N
XLogP2.68
TPSA70.79 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.33
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl 3-(2,3-dimethoxyphenyl)propanoate
CID 55556224
(3-chlorophenyl)methyl 3-(2,3-dimethoxyphenyl)propanoate
CID 55368923
2-hydroxyethyl 3-(2,3-dimethoxyphenyl)propanoate
CID 55563336
(6-chloro-3-pyridinyl)methyl 3-(2,3-dimethoxyphenyl)propanoate
CID 55546324
[3-(trifluoromethyl)phenyl]methyl 3-(2,3-dimethoxyphenyl)propanoate
CID 55368745
2,3-dimethoxy-N-[2-(3-methyl-1,2-oxazol-5-yl)ethyl]benzamide
CID 90537616
2-phenylethyl 3-(2,3-dimethoxyphenyl)propanoate
CID 66702130
1-amino-4-(2,3-dimethoxyphenyl)butan-2-one;hydrochloride
CID 67393300
ethyl 3-[2-methoxy-3-(trifluoromethoxy)phenyl]propanoate
CID 134632476
(1-butyltetrazol-5-yl)methyl 3-(2,3-dimethoxyphenyl)propanoate
CID 55392997
(3-methyl-1,2-oxazol-5-yl)methyl 3,4-dimethoxybenzoate
CID 18099550
ethyl 3-(3-methoxy-2-methylphenyl)propanoate
CID 68850412

Frequently Asked Questions

What is the IUPAC name of (3-methyl-1,2-oxazol-5-yl)methyl 3-(2,3-dimethoxyphenyl)propanoate?
The IUPAC name of (3-methyl-1,2-oxazol-5-yl)methyl 3-(2,3-dimethoxyphenyl)propanoate (CID 55445109) is (3-methyl-1,2-oxazol-5-yl)methyl 3-(2,3-dimethoxyphenyl)propanoate.
What is the SMILES notation for (3-methyl-1,2-oxazol-5-yl)methyl 3-(2,3-dimethoxyphenyl)propanoate?
The canonical SMILES for (3-methyl-1,2-oxazol-5-yl)methyl 3-(2,3-dimethoxyphenyl)propanoate is COc1cccc(CCC(=O)OCc2cc(C)no2)c1OC.
What is the InChIKey of (3-methyl-1,2-oxazol-5-yl)methyl 3-(2,3-dimethoxyphenyl)propanoate?
The InChIKey is UOWYWYCCFKVDOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO5/c1-11-9-13(22-17-11)10-21-15(18)8-7-12-5-4-6-14(19-2)16(12)20-3/h4-6,9H,7-8,10H2,1-3H3.
What are the key properties of (3-methyl-1,2-oxazol-5-yl)methyl 3-(2,3-dimethoxyphenyl)propanoate?
(3-methyl-1,2-oxazol-5-yl)methyl 3-(2,3-dimethoxyphenyl)propanoate has a molecular weight of 305.33 g/mol, XLogP of 2.68, 7 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-(2,3-dimethoxyphenyl)propanoate is sourced from PubChem (CID 55445109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).