N-(2-phenylpropyl)-5-thiophen-2-yl-1,3-oxazole-4-carboxamide

C17H16N2O2S — CID 43817795

IUPACN-(2-phenylpropyl)-5-thiophen-2-yl-1,3-oxazole-4-carboxamide
SMILESCC(CNC(=O)c1ncoc1-c1cccs1)c1ccccc1
InChIInChI=1S/C17H16N2O2S/c1-12(13-6-3-2-4-7-13)10-18-17(20)15-16(21-11-19-15)14-8-5-9-22-14/h2-9,11-12H,10H2,1H3,(H,18,20)
InChIKeyFSQWOHPHKXLINC-UHFFFAOYSA-N
MW312.39 g/mol
LogP3.94
Rot. Bonds5

About N-(2-phenylpropyl)-5-thiophen-2-yl-1,3-oxazole-4-carboxamide

N-(2-phenylpropyl)-5-thiophen-2-yl-1,3-oxazole-4-carboxamide (PubChem CID 43817795) has the molecular formula C17H16N2O2S and a molecular weight of 312.39 g/mol. Its IUPAC name is N-(2-phenylpropyl)-5-thiophen-2-yl-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-(2-phenylpropyl)-5-thiophen-2-yl-1,3-oxazole-4-carboxamide
PubChem CID43817795
Molecular FormulaC17H16N2O2S
Molecular Weight312.39 g/mol
Exact Mass312.09
IUPAC NameN-(2-phenylpropyl)-5-thiophen-2-yl-1,3-oxazole-4-carboxamide
SMILESCC(CNC(=O)c1ncoc1-c1cccs1)c1ccccc1
InChIInChI=1S/C17H16N2O2S/c1-12(13-6-3-2-4-7-13)10-18-17(20)15-16(21-11-19-15)14-8-5-9-22-14/h2-9,11-12H,10H2,1H3,(H,18,20)
InChIKeyFSQWOHPHKXLINC-UHFFFAOYSA-N
XLogP3.94
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.39
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-phenylpropyl)-5-thiophen-2-yl-1,3-oxazole-4-carboxamide?
The IUPAC name of N-(2-phenylpropyl)-5-thiophen-2-yl-1,3-oxazole-4-carboxamide (CID 43817795) is N-(2-phenylpropyl)-5-thiophen-2-yl-1,3-oxazole-4-carboxamide.
What is the SMILES notation for N-(2-phenylpropyl)-5-thiophen-2-yl-1,3-oxazole-4-carboxamide?
The canonical SMILES for N-(2-phenylpropyl)-5-thiophen-2-yl-1,3-oxazole-4-carboxamide is CC(CNC(=O)c1ncoc1-c1cccs1)c1ccccc1.
What is the InChIKey of N-(2-phenylpropyl)-5-thiophen-2-yl-1,3-oxazole-4-carboxamide?
The InChIKey is FSQWOHPHKXLINC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O2S/c1-12(13-6-3-2-4-7-13)10-18-17(20)15-16(21-11-19-15)14-8-5-9-22-14/h2-9,11-12H,10H2,1H3,(H,18,20).
What are the key properties of N-(2-phenylpropyl)-5-thiophen-2-yl-1,3-oxazole-4-carboxamide?
N-(2-phenylpropyl)-5-thiophen-2-yl-1,3-oxazole-4-carboxamide has a molecular weight of 312.39 g/mol, XLogP of 3.94, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-phenylpropyl)-5-thiophen-2-yl-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 43817795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).