(3,5-dimethyl-1,2-oxazol-4-yl)methyl 4-(diethylamino)benzoate

C17H22N2O3 — CID 2434941

IUPAC(3,5-dimethyl-1,2-oxazol-4-yl)methyl 4-(diethylamino)benzoate
SMILESCCN(CC)c1ccc(C(=O)OCc2c(C)noc2C)cc1
InChIInChI=1S/C17H22N2O3/c1-5-19(6-2)15-9-7-14(8-10-15)17(20)21-11-16-12(3)18-22-13(16)4/h7-10H,5-6,11H2,1-4H3
InChIKeyPIRJIBVVOISTCH-UHFFFAOYSA-N
MW302.37 g/mol
LogP3.49
Rot. Bonds6

About (3,5-dimethyl-1,2-oxazol-4-yl)methyl 4-(diethylamino)benzoate

(3,5-dimethyl-1,2-oxazol-4-yl)methyl 4-(diethylamino)benzoate (PubChem CID 2434941) has the molecular formula C17H22N2O3 and a molecular weight of 302.37 g/mol. Its IUPAC name is (3,5-dimethyl-1,2-oxazol-4-yl)methyl 4-(diethylamino)benzoate.

Molecular Properties

Compound Name(3,5-dimethyl-1,2-oxazol-4-yl)methyl 4-(diethylamino)benzoate
PubChem CID2434941
Molecular FormulaC17H22N2O3
Molecular Weight302.37 g/mol
Exact Mass302.16
IUPAC Name(3,5-dimethyl-1,2-oxazol-4-yl)methyl 4-(diethylamino)benzoate
SMILESCCN(CC)c1ccc(C(=O)OCc2c(C)noc2C)cc1
InChIInChI=1S/C17H22N2O3/c1-5-19(6-2)15-9-7-14(8-10-15)17(20)21-11-16-12(3)18-22-13(16)4/h7-10H,5-6,11H2,1-4H3
InChIKeyPIRJIBVVOISTCH-UHFFFAOYSA-N
XLogP3.49
TPSA55.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.37
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3,5-dimethyl-1,2-oxazol-4-yl)methyl 4-(diethylamino)benzoate?
The IUPAC name of (3,5-dimethyl-1,2-oxazol-4-yl)methyl 4-(diethylamino)benzoate (CID 2434941) is (3,5-dimethyl-1,2-oxazol-4-yl)methyl 4-(diethylamino)benzoate.
What is the SMILES notation for (3,5-dimethyl-1,2-oxazol-4-yl)methyl 4-(diethylamino)benzoate?
The canonical SMILES for (3,5-dimethyl-1,2-oxazol-4-yl)methyl 4-(diethylamino)benzoate is CCN(CC)c1ccc(C(=O)OCc2c(C)noc2C)cc1.
What is the InChIKey of (3,5-dimethyl-1,2-oxazol-4-yl)methyl 4-(diethylamino)benzoate?
The InChIKey is PIRJIBVVOISTCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O3/c1-5-19(6-2)15-9-7-14(8-10-15)17(20)21-11-16-12(3)18-22-13(16)4/h7-10H,5-6,11H2,1-4H3.
What are the key properties of (3,5-dimethyl-1,2-oxazol-4-yl)methyl 4-(diethylamino)benzoate?
(3,5-dimethyl-1,2-oxazol-4-yl)methyl 4-(diethylamino)benzoate has a molecular weight of 302.37 g/mol, XLogP of 3.49, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dimethyl-1,2-oxazol-4-yl)methyl 4-(diethylamino)benzoate is sourced from PubChem (CID 2434941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).