N-[4-phenyl-2-(5-thiophen-3-yl-3-pyridinyl)-1,3-oxazol-5-yl]acetamide

C20H15N3O2S — CID 5329355

IUPACN-[4-phenyl-2-(5-thiophen-3-yl-3-pyridinyl)-1,3-oxazol-5-yl]acetamide
SMILESCC(=O)Nc1oc(-c2cncc(-c3ccsc3)c2)nc1-c1ccccc1
InChIInChI=1S/C20H15N3O2S/c1-13(24)22-20-18(14-5-3-2-4-6-14)23-19(25-20)17-9-16(10-21-11-17)15-7-8-26-12-15/h2-12H,1H3,(H,22,24)
InChIKeyFLTSMTWOJPJKPZ-UHFFFAOYSA-N
MW361.43 g/mol
LogP5.09
Rot. Bonds4

About N-[4-phenyl-2-(5-thiophen-3-yl-3-pyridinyl)-1,3-oxazol-5-yl]acetamide

N-[4-phenyl-2-(5-thiophen-3-yl-3-pyridinyl)-1,3-oxazol-5-yl]acetamide (PubChem CID 5329355) has the molecular formula C20H15N3O2S and a molecular weight of 361.43 g/mol. Its IUPAC name is N-[4-phenyl-2-(5-thiophen-3-yl-3-pyridinyl)-1,3-oxazol-5-yl]acetamide.

Molecular Properties

Compound NameN-[4-phenyl-2-(5-thiophen-3-yl-3-pyridinyl)-1,3-oxazol-5-yl]acetamide
PubChem CID5329355
Molecular FormulaC20H15N3O2S
Molecular Weight361.43 g/mol
Exact Mass361.09
IUPAC NameN-[4-phenyl-2-(5-thiophen-3-yl-3-pyridinyl)-1,3-oxazol-5-yl]acetamide
SMILESCC(=O)Nc1oc(-c2cncc(-c3ccsc3)c2)nc1-c1ccccc1
InChIInChI=1S/C20H15N3O2S/c1-13(24)22-20-18(14-5-3-2-4-6-14)23-19(25-20)17-9-16(10-21-11-17)15-7-8-26-12-15/h2-12H,1H3,(H,22,24)
InChIKeyFLTSMTWOJPJKPZ-UHFFFAOYSA-N
XLogP5.09
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500361.43
LogP ≤ 55.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-phenyl-2-(5-thiophen-3-yl-3-pyridinyl)-1,3-oxazol-5-yl]acetamide?
The IUPAC name of N-[4-phenyl-2-(5-thiophen-3-yl-3-pyridinyl)-1,3-oxazol-5-yl]acetamide (CID 5329355) is N-[4-phenyl-2-(5-thiophen-3-yl-3-pyridinyl)-1,3-oxazol-5-yl]acetamide.
What is the SMILES notation for N-[4-phenyl-2-(5-thiophen-3-yl-3-pyridinyl)-1,3-oxazol-5-yl]acetamide?
The canonical SMILES for N-[4-phenyl-2-(5-thiophen-3-yl-3-pyridinyl)-1,3-oxazol-5-yl]acetamide is CC(=O)Nc1oc(-c2cncc(-c3ccsc3)c2)nc1-c1ccccc1.
What is the InChIKey of N-[4-phenyl-2-(5-thiophen-3-yl-3-pyridinyl)-1,3-oxazol-5-yl]acetamide?
The InChIKey is FLTSMTWOJPJKPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N3O2S/c1-13(24)22-20-18(14-5-3-2-4-6-14)23-19(25-20)17-9-16(10-21-11-17)15-7-8-26-12-15/h2-12H,1H3,(H,22,24).
What are the key properties of N-[4-phenyl-2-(5-thiophen-3-yl-3-pyridinyl)-1,3-oxazol-5-yl]acetamide?
N-[4-phenyl-2-(5-thiophen-3-yl-3-pyridinyl)-1,3-oxazol-5-yl]acetamide has a molecular weight of 361.43 g/mol, XLogP of 5.09, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-phenyl-2-(5-thiophen-3-yl-3-pyridinyl)-1,3-oxazol-5-yl]acetamide is sourced from PubChem (CID 5329355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).