(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl 2-methylbenzoate

C19H17NO3 — CID 16588766

IUPAC(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl 2-methylbenzoate
SMILESCc1ccccc1C(=O)OCc1nc(-c2ccccc2)oc1C
InChIInChI=1S/C19H17NO3/c1-13-8-6-7-11-16(13)19(21)22-12-17-14(2)23-18(20-17)15-9-4-3-5-10-15/h3-11H,12H2,1-2H3
InChIKeyCPQRZNYSJGDFTE-UHFFFAOYSA-N
MW307.35 g/mol
LogP4.32
Rot. Bonds4

About (5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl 2-methylbenzoate

(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl 2-methylbenzoate (PubChem CID 16588766) has the molecular formula C19H17NO3 and a molecular weight of 307.35 g/mol. Its IUPAC name is (5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl 2-methylbenzoate.

Molecular Properties

Compound Name(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl 2-methylbenzoate
PubChem CID16588766
Molecular FormulaC19H17NO3
Molecular Weight307.35 g/mol
Exact Mass307.12
IUPAC Name(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl 2-methylbenzoate
SMILESCc1ccccc1C(=O)OCc1nc(-c2ccccc2)oc1C
InChIInChI=1S/C19H17NO3/c1-13-8-6-7-11-16(13)19(21)22-12-17-14(2)23-18(20-17)15-9-4-3-5-10-15/h3-11H,12H2,1-2H3
InChIKeyCPQRZNYSJGDFTE-UHFFFAOYSA-N
XLogP4.32
TPSA52.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl 2-hydroxy-3-methylbenzoate
CID 16588903
(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 3-methyl-2-nitrobenzoate
CID 16797367
(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 4-(4-hydroxyphenyl)benzoate
CID 16588456
(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl 4-fluorobenzoate
CID 16588676
(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl 2,4-dimethoxybenzoate
CID 16588780
(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl 5-methylthiophene-2-carboxylate
CID 16611239
(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl 2-(furan-2-carbonylamino)benzoate
CID 16588954
(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl 3,4-dichlorobenzoate
CID 16588714
(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl 5-sulfamoylfuran-2-carboxylate
CID 55644091

Frequently Asked Questions

What is the IUPAC name of (5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl 2-methylbenzoate?
The IUPAC name of (5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl 2-methylbenzoate (CID 16588766) is (5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl 2-methylbenzoate.
What is the SMILES notation for (5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl 2-methylbenzoate?
The canonical SMILES for (5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl 2-methylbenzoate is Cc1ccccc1C(=O)OCc1nc(-c2ccccc2)oc1C.
What is the InChIKey of (5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl 2-methylbenzoate?
The InChIKey is CPQRZNYSJGDFTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17NO3/c1-13-8-6-7-11-16(13)19(21)22-12-17-14(2)23-18(20-17)15-9-4-3-5-10-15/h3-11H,12H2,1-2H3.
What are the key properties of (5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl 2-methylbenzoate?
(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl 2-methylbenzoate has a molecular weight of 307.35 g/mol, XLogP of 4.32, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl 2-methylbenzoate is sourced from PubChem (CID 16588766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).