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

C16H13NO3S — CID 7837950

IUPAC(5-phenyl-1,3-oxazol-2-yl)methyl 5-methylthiophene-2-carboxylate
SMILESCc1ccc(C(=O)OCc2ncc(-c3ccccc3)o2)s1
InChIInChI=1S/C16H13NO3S/c1-11-7-8-14(21-11)16(18)19-10-15-17-9-13(20-15)12-5-3-2-4-6-12/h2-9H,10H2,1H3
InChIKeyYFOKPYSGZAAMHR-UHFFFAOYSA-N
MW299.35 g/mol
LogP4.07
Rot. Bonds4

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

(5-phenyl-1,3-oxazol-2-yl)methyl 5-methylthiophene-2-carboxylate (PubChem CID 7837950) has the molecular formula C16H13NO3S and a molecular weight of 299.35 g/mol. Its IUPAC name is (5-phenyl-1,3-oxazol-2-yl)methyl 5-methylthiophene-2-carboxylate.

Molecular Properties

Compound Name(5-phenyl-1,3-oxazol-2-yl)methyl 5-methylthiophene-2-carboxylate
PubChem CID7837950
Molecular FormulaC16H13NO3S
Molecular Weight299.35 g/mol
Exact Mass299.06
IUPAC Name(5-phenyl-1,3-oxazol-2-yl)methyl 5-methylthiophene-2-carboxylate
SMILESCc1ccc(C(=O)OCc2ncc(-c3ccccc3)o2)s1
InChIInChI=1S/C16H13NO3S/c1-11-7-8-14(21-11)16(18)19-10-15-17-9-13(20-15)12-5-3-2-4-6-12/h2-9H,10H2,1H3
InChIKeyYFOKPYSGZAAMHR-UHFFFAOYSA-N
XLogP4.07
TPSA52.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.35
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (5-phenyl-1,3-oxazol-2-yl)methyl 5-methylthiophene-2-carboxylate?
The IUPAC name of (5-phenyl-1,3-oxazol-2-yl)methyl 5-methylthiophene-2-carboxylate (CID 7837950) is (5-phenyl-1,3-oxazol-2-yl)methyl 5-methylthiophene-2-carboxylate.
What is the SMILES notation for (5-phenyl-1,3-oxazol-2-yl)methyl 5-methylthiophene-2-carboxylate?
The canonical SMILES for (5-phenyl-1,3-oxazol-2-yl)methyl 5-methylthiophene-2-carboxylate is Cc1ccc(C(=O)OCc2ncc(-c3ccccc3)o2)s1.
What is the InChIKey of (5-phenyl-1,3-oxazol-2-yl)methyl 5-methylthiophene-2-carboxylate?
The InChIKey is YFOKPYSGZAAMHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13NO3S/c1-11-7-8-14(21-11)16(18)19-10-15-17-9-13(20-15)12-5-3-2-4-6-12/h2-9H,10H2,1H3.
What are the key properties of (5-phenyl-1,3-oxazol-2-yl)methyl 5-methylthiophene-2-carboxylate?
(5-phenyl-1,3-oxazol-2-yl)methyl 5-methylthiophene-2-carboxylate has a molecular weight of 299.35 g/mol, XLogP of 4.07, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-phenyl-1,3-oxazol-2-yl)methyl 5-methylthiophene-2-carboxylate is sourced from PubChem (CID 7837950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).