5-(4-hydroxyphenyl)-N-(thiophen-2-ylmethyl)-1,2-oxazole-3-carboxamide

C15H12N2O3S — CID 135439713

IUPAC5-(4-hydroxyphenyl)-N-(thiophen-2-ylmethyl)-1,2-oxazole-3-carboxamide
SMILESO=C(NCc1cccs1)c1cc(-c2ccc(O)cc2)on1
InChIInChI=1S/C15H12N2O3S/c18-11-5-3-10(4-6-11)14-8-13(17-20-14)15(19)16-9-12-2-1-7-21-12/h1-8,18H,9H2,(H,16,19)
InChIKeyYPBQXYMWTJPIGL-UHFFFAOYSA-N
MW300.34 g/mol
LogP3.04
Rot. Bonds4

About 5-(4-hydroxyphenyl)-N-(thiophen-2-ylmethyl)-1,2-oxazole-3-carboxamide

5-(4-hydroxyphenyl)-N-(thiophen-2-ylmethyl)-1,2-oxazole-3-carboxamide (PubChem CID 135439713) has the molecular formula C15H12N2O3S and a molecular weight of 300.34 g/mol. Its IUPAC name is 5-(4-hydroxyphenyl)-N-(thiophen-2-ylmethyl)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-(4-hydroxyphenyl)-N-(thiophen-2-ylmethyl)-1,2-oxazole-3-carboxamide
PubChem CID135439713
Molecular FormulaC15H12N2O3S
Molecular Weight300.34 g/mol
Exact Mass300.06
IUPAC Name5-(4-hydroxyphenyl)-N-(thiophen-2-ylmethyl)-1,2-oxazole-3-carboxamide
SMILESO=C(NCc1cccs1)c1cc(-c2ccc(O)cc2)on1
InChIInChI=1S/C15H12N2O3S/c18-11-5-3-10(4-6-11)14-8-13(17-20-14)15(19)16-9-12-2-1-7-21-12/h1-8,18H,9H2,(H,16,19)
InChIKeyYPBQXYMWTJPIGL-UHFFFAOYSA-N
XLogP3.04
TPSA75.36 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.34
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(4-hydroxyphenyl)-N-(thiophen-2-ylmethyl)-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-(4-hydroxyphenyl)-N-(thiophen-2-ylmethyl)-1,2-oxazole-3-carboxamide (CID 135439713) is 5-(4-hydroxyphenyl)-N-(thiophen-2-ylmethyl)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-(4-hydroxyphenyl)-N-(thiophen-2-ylmethyl)-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-(4-hydroxyphenyl)-N-(thiophen-2-ylmethyl)-1,2-oxazole-3-carboxamide is O=C(NCc1cccs1)c1cc(-c2ccc(O)cc2)on1.
What is the InChIKey of 5-(4-hydroxyphenyl)-N-(thiophen-2-ylmethyl)-1,2-oxazole-3-carboxamide?
The InChIKey is YPBQXYMWTJPIGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O3S/c18-11-5-3-10(4-6-11)14-8-13(17-20-14)15(19)16-9-12-2-1-7-21-12/h1-8,18H,9H2,(H,16,19).
What are the key properties of 5-(4-hydroxyphenyl)-N-(thiophen-2-ylmethyl)-1,2-oxazole-3-carboxamide?
5-(4-hydroxyphenyl)-N-(thiophen-2-ylmethyl)-1,2-oxazole-3-carboxamide has a molecular weight of 300.34 g/mol, XLogP of 3.04, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-hydroxyphenyl)-N-(thiophen-2-ylmethyl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 135439713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).