(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl 2-(2-propan-2-ylphenoxy)acetate

C22H23NO4 — CID 24592155

IUPAC(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl 2-(2-propan-2-ylphenoxy)acetate
SMILESCc1oc(-c2ccccc2)nc1COC(=O)COc1ccccc1C(C)C
InChIInChI=1S/C22H23NO4/c1-15(2)18-11-7-8-12-20(18)25-14-21(24)26-13-19-16(3)27-22(23-19)17-9-5-4-6-10-17/h4-12,15H,13-14H2,1-3H3
InChIKeyQXUNSTOGEAPXQI-UHFFFAOYSA-N
MW365.43 g/mol
LogP4.90
Rot. Bonds7

About (5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl 2-(2-propan-2-ylphenoxy)acetate

(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl 2-(2-propan-2-ylphenoxy)acetate (PubChem CID 24592155) has the molecular formula C22H23NO4 and a molecular weight of 365.43 g/mol. Its IUPAC name is (5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl 2-(2-propan-2-ylphenoxy)acetate.

Molecular Properties

Compound Name(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl 2-(2-propan-2-ylphenoxy)acetate
PubChem CID24592155
Molecular FormulaC22H23NO4
Molecular Weight365.43 g/mol
Exact Mass365.16
IUPAC Name(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl 2-(2-propan-2-ylphenoxy)acetate
SMILESCc1oc(-c2ccccc2)nc1COC(=O)COc1ccccc1C(C)C
InChIInChI=1S/C22H23NO4/c1-15(2)18-11-7-8-12-20(18)25-14-21(24)26-13-19-16(3)27-22(23-19)17-9-5-4-6-10-17/h4-12,15H,13-14H2,1-3H3
InChIKeyQXUNSTOGEAPXQI-UHFFFAOYSA-N
XLogP4.90
TPSA61.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.43
LogP ≤ 54.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl 2-(2-propan-2-ylphenoxy)acetate 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

(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl 2-(4-acetylphenoxy)acetate
CID 16589131
(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl 2-(4-fluorophenyl)acetate
CID 16588798
(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl 4-fluorobenzoate
CID 16588676
(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl 2-methylbenzoate
CID 16588766
(2-methoxyphenyl) 2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetate
CID 31702472
(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl N-tert-butylcarbamate
CID 174457972
(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl 2-[(2-methylbenzoyl)amino]acetate
CID 16589199
(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl 3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]propanoate
CID 24619168
(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl 2-fluorobenzoate
CID 16588712
(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl naphthalene-1-carboxylate
CID 16588864
(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl 4-(4-hydroxyphenyl)benzoate
CID 16588456
1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl 2-(2-propan-2-ylphenoxy)acetate
CID 43031824

Frequently Asked Questions

What is the IUPAC name of (5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl 2-(2-propan-2-ylphenoxy)acetate?
The IUPAC name of (5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl 2-(2-propan-2-ylphenoxy)acetate (CID 24592155) is (5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl 2-(2-propan-2-ylphenoxy)acetate.
What is the SMILES notation for (5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl 2-(2-propan-2-ylphenoxy)acetate?
The canonical SMILES for (5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl 2-(2-propan-2-ylphenoxy)acetate is Cc1oc(-c2ccccc2)nc1COC(=O)COc1ccccc1C(C)C.
What is the InChIKey of (5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl 2-(2-propan-2-ylphenoxy)acetate?
The InChIKey is QXUNSTOGEAPXQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23NO4/c1-15(2)18-11-7-8-12-20(18)25-14-21(24)26-13-19-16(3)27-22(23-19)17-9-5-4-6-10-17/h4-12,15H,13-14H2,1-3H3.
What are the key properties of (5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl 2-(2-propan-2-ylphenoxy)acetate?
(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl 2-(2-propan-2-ylphenoxy)acetate has a molecular weight of 365.43 g/mol, XLogP of 4.90, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl 2-(2-propan-2-ylphenoxy)acetate is sourced from PubChem (CID 24592155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).