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

C15H18N2O3 — CID 2078139

IUPAC(3,5-dimethyl-1,2-oxazol-4-yl)methyl 4-(dimethylamino)benzoate
SMILESCc1noc(C)c1COC(=O)c1ccc(N(C)C)cc1
InChIInChI=1S/C15H18N2O3/c1-10-14(11(2)20-16-10)9-19-15(18)12-5-7-13(8-6-12)17(3)4/h5-8H,9H2,1-4H3
InChIKeyKCXPSUQLGVGEGL-UHFFFAOYSA-N
MW274.32 g/mol
LogP2.71
Rot. Bonds4

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

(3,5-dimethyl-1,2-oxazol-4-yl)methyl 4-(dimethylamino)benzoate (PubChem CID 2078139) has the molecular formula C15H18N2O3 and a molecular weight of 274.32 g/mol. Its IUPAC name is (3,5-dimethyl-1,2-oxazol-4-yl)methyl 4-(dimethylamino)benzoate.

Molecular Properties

Compound Name(3,5-dimethyl-1,2-oxazol-4-yl)methyl 4-(dimethylamino)benzoate
PubChem CID2078139
Molecular FormulaC15H18N2O3
Molecular Weight274.32 g/mol
Exact Mass274.13
IUPAC Name(3,5-dimethyl-1,2-oxazol-4-yl)methyl 4-(dimethylamino)benzoate
SMILESCc1noc(C)c1COC(=O)c1ccc(N(C)C)cc1
InChIInChI=1S/C15H18N2O3/c1-10-14(11(2)20-16-10)9-19-15(18)12-5-7-13(8-6-12)17(3)4/h5-8H,9H2,1-4H3
InChIKeyKCXPSUQLGVGEGL-UHFFFAOYSA-N
XLogP2.71
TPSA55.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(3,5-Dimethyl-1,2-oxazol-4-yl)methyl 3-(dimethylamino)benzoate
CID 2363952
(3,5-Dimethyl-1,2-oxazol-4-yl)methyl 4-(diethylamino)benzoate
CID 2434941
2-(4-Acetamido-2-fluorophenyl)-2-oxoethyl 3-ethyl-5-methyl-1,2-oxazole-4-carboxylate
CID 9508232
(3,5-Dimethyl-1,2-oxazol-4-yl)methyl 2-[(2-phenylacetyl)amino]benzoate
CID 2571078
[2-[4-(3-Methylbutanoylamino)phenyl]-2-oxoethyl] 3-ethyl-5-methyl-1,2-oxazole-4-carboxylate
CID 7660695
Propyl 4-[(5-methyl-3-phenylisoxazol-4-yl)carbonylamino]benzoate
CID 2166739
Propan-2-yl 4-(5-methyl-3-phenyl-1,2-oxazole-4-amido)benzoate
CID 17173451
Methyl 4-(5-methyl-3-phenyl-1,2-oxazole-4-amido)benzoate
CID 2287619
[2-[4-(Butanoylamino)phenyl]-2-oxoethyl] 3,5-dimethyl-1,2-oxazole-4-carboxylate
CID 7561038
[2-(4-Acetamido-2-fluorophenyl)-2-oxoethyl] 3,5-dimethyl-1,2-oxazole-4-carboxylate
CID 8392125
Methyl 4-[3-methyl-4-(5-methyl-1,2-oxazole-3-carbonyl)piperazin-1-yl]benzoate
CID 53567095
Methyl 4-[3-methyl-4-(3-methyl-1,2-oxazole-5-carbonyl)piperazin-1-yl]benzoate
CID 53567181

Frequently Asked Questions

What is the IUPAC name of (3,5-dimethyl-1,2-oxazol-4-yl)methyl 4-(dimethylamino)benzoate?
The IUPAC name of (3,5-dimethyl-1,2-oxazol-4-yl)methyl 4-(dimethylamino)benzoate (CID 2078139) is (3,5-dimethyl-1,2-oxazol-4-yl)methyl 4-(dimethylamino)benzoate.
What is the SMILES notation for (3,5-dimethyl-1,2-oxazol-4-yl)methyl 4-(dimethylamino)benzoate?
The canonical SMILES for (3,5-dimethyl-1,2-oxazol-4-yl)methyl 4-(dimethylamino)benzoate is Cc1noc(C)c1COC(=O)c1ccc(N(C)C)cc1.
What is the InChIKey of (3,5-dimethyl-1,2-oxazol-4-yl)methyl 4-(dimethylamino)benzoate?
The InChIKey is KCXPSUQLGVGEGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3/c1-10-14(11(2)20-16-10)9-19-15(18)12-5-7-13(8-6-12)17(3)4/h5-8H,9H2,1-4H3.
What are the key properties of (3,5-dimethyl-1,2-oxazol-4-yl)methyl 4-(dimethylamino)benzoate?
(3,5-dimethyl-1,2-oxazol-4-yl)methyl 4-(dimethylamino)benzoate has a molecular weight of 274.32 g/mol, XLogP of 2.71, 4 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-(dimethylamino)benzoate is sourced from PubChem (CID 2078139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).