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

C16H14N2O3S — CID 16949919

IUPAC5-(4-methoxyphenyl)-N-(thiophen-2-ylmethyl)-1,3-oxazole-2-carboxamide
SMILESCOc1ccc(-c2cnc(C(=O)NCc3cccs3)o2)cc1
InChIInChI=1S/C16H14N2O3S/c1-20-12-6-4-11(5-7-12)14-10-18-16(21-14)15(19)17-9-13-3-2-8-22-13/h2-8,10H,9H2,1H3,(H,17,19)
InChIKeyADSMBKVRRDVFGB-UHFFFAOYSA-N
MW314.37 g/mol
LogP3.34
Rot. Bonds5

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

5-(4-methoxyphenyl)-N-(thiophen-2-ylmethyl)-1,3-oxazole-2-carboxamide (PubChem CID 16949919) has the molecular formula C16H14N2O3S and a molecular weight of 314.37 g/mol. Its IUPAC name is 5-(4-methoxyphenyl)-N-(thiophen-2-ylmethyl)-1,3-oxazole-2-carboxamide.

Molecular Properties

Compound Name5-(4-methoxyphenyl)-N-(thiophen-2-ylmethyl)-1,3-oxazole-2-carboxamide
PubChem CID16949919
Molecular FormulaC16H14N2O3S
Molecular Weight314.37 g/mol
Exact Mass314.07
IUPAC Name5-(4-methoxyphenyl)-N-(thiophen-2-ylmethyl)-1,3-oxazole-2-carboxamide
SMILESCOc1ccc(-c2cnc(C(=O)NCc3cccs3)o2)cc1
InChIInChI=1S/C16H14N2O3S/c1-20-12-6-4-11(5-7-12)14-10-18-16(21-14)15(19)17-9-13-3-2-8-22-13/h2-8,10H,9H2,1H3,(H,17,19)
InChIKeyADSMBKVRRDVFGB-UHFFFAOYSA-N
XLogP3.34
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.37
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(4-methoxyphenyl)-N-(thiophen-2-ylmethyl)-1,3-oxazole-2-carboxamide?
The IUPAC name of 5-(4-methoxyphenyl)-N-(thiophen-2-ylmethyl)-1,3-oxazole-2-carboxamide (CID 16949919) is 5-(4-methoxyphenyl)-N-(thiophen-2-ylmethyl)-1,3-oxazole-2-carboxamide.
What is the SMILES notation for 5-(4-methoxyphenyl)-N-(thiophen-2-ylmethyl)-1,3-oxazole-2-carboxamide?
The canonical SMILES for 5-(4-methoxyphenyl)-N-(thiophen-2-ylmethyl)-1,3-oxazole-2-carboxamide is COc1ccc(-c2cnc(C(=O)NCc3cccs3)o2)cc1.
What is the InChIKey of 5-(4-methoxyphenyl)-N-(thiophen-2-ylmethyl)-1,3-oxazole-2-carboxamide?
The InChIKey is ADSMBKVRRDVFGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O3S/c1-20-12-6-4-11(5-7-12)14-10-18-16(21-14)15(19)17-9-13-3-2-8-22-13/h2-8,10H,9H2,1H3,(H,17,19).
What are the key properties of 5-(4-methoxyphenyl)-N-(thiophen-2-ylmethyl)-1,3-oxazole-2-carboxamide?
5-(4-methoxyphenyl)-N-(thiophen-2-ylmethyl)-1,3-oxazole-2-carboxamide has a molecular weight of 314.37 g/mol, XLogP of 3.34, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methoxyphenyl)-N-(thiophen-2-ylmethyl)-1,3-oxazole-2-carboxamide is sourced from PubChem (CID 16949919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).