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

C17H15NO3S — CID 16611239

IUPAC(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl 5-methylthiophene-2-carboxylate
SMILESCc1ccc(C(=O)OCc2nc(-c3ccccc3)oc2C)s1
InChIInChI=1S/C17H15NO3S/c1-11-8-9-15(22-11)17(19)20-10-14-12(2)21-16(18-14)13-6-4-3-5-7-13/h3-9H,10H2,1-2H3
InChIKeyZAXRMCGFHGJUJH-UHFFFAOYSA-N
MW313.38 g/mol
LogP4.38
Rot. Bonds4

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

(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl 5-methylthiophene-2-carboxylate (PubChem CID 16611239) has the molecular formula C17H15NO3S and a molecular weight of 313.38 g/mol. Its IUPAC name is (5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl 5-methylthiophene-2-carboxylate.

Molecular Properties

Compound Name(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl 5-methylthiophene-2-carboxylate
PubChem CID16611239
Molecular FormulaC17H15NO3S
Molecular Weight313.38 g/mol
Exact Mass313.08
IUPAC Name(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl 5-methylthiophene-2-carboxylate
SMILESCc1ccc(C(=O)OCc2nc(-c3ccccc3)oc2C)s1
InChIInChI=1S/C17H15NO3S/c1-11-8-9-15(22-11)17(19)20-10-14-12(2)21-16(18-14)13-6-4-3-5-7-13/h3-9H,10H2,1-2H3
InChIKeyZAXRMCGFHGJUJH-UHFFFAOYSA-N
XLogP4.38
TPSA52.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.38
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl 4,5-dibromothiophene-2-carboxylate
CID 16589163
(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl 2-methylbenzoate
CID 16588766
(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 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-fluorobenzoate
CID 16588676
(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 2-hydroxy-3-methylbenzoate
CID 16588903
(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl 2-methyl-1H-indole-3-carboxylate
CID 99813436
(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl 5-sulfamoylfuran-2-carboxylate
CID 55644091
(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-chloro-6-fluorobenzoate
CID 16588695

Frequently Asked Questions

What is the IUPAC name of (5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl 5-methylthiophene-2-carboxylate?
The IUPAC name of (5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl 5-methylthiophene-2-carboxylate (CID 16611239) is (5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl 5-methylthiophene-2-carboxylate.
What is the SMILES notation for (5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl 5-methylthiophene-2-carboxylate?
The canonical SMILES for (5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl 5-methylthiophene-2-carboxylate is Cc1ccc(C(=O)OCc2nc(-c3ccccc3)oc2C)s1.
What is the InChIKey of (5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl 5-methylthiophene-2-carboxylate?
The InChIKey is ZAXRMCGFHGJUJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO3S/c1-11-8-9-15(22-11)17(19)20-10-14-12(2)21-16(18-14)13-6-4-3-5-7-13/h3-9H,10H2,1-2H3.
What are the key properties of (5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl 5-methylthiophene-2-carboxylate?
(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl 5-methylthiophene-2-carboxylate has a molecular weight of 313.38 g/mol, XLogP of 4.38, 4 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 5-methylthiophene-2-carboxylate is sourced from PubChem (CID 16611239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).