5-amino-2-phenyl-7-thiophen-2-yl-4,7-dihydro-[1,3]oxazolo[5,4-b]pyridine-6-carbonitrile

C17H12N4OS — CID 5123168

IUPAC5-amino-2-phenyl-7-thiophen-2-yl-4,7-dihydro-[1,3]oxazolo[5,4-b]pyridine-6-carbonitrile
SMILESN#CC1=C(N)Nc2oc(-c3ccccc3)nc2C1c1cccs1
InChIInChI=1S/C17H12N4OS/c18-9-11-13(12-7-4-8-23-12)14-17(21-15(11)19)22-16(20-14)10-5-2-1-3-6-10/h1-8,13,21H,19H2
InChIKeyBXVLFTFXIZUDJP-UHFFFAOYSA-N
MW320.38 g/mol
LogP3.65
Rot. Bonds2

About 5-amino-2-phenyl-7-thiophen-2-yl-4,7-dihydro-[1,3]oxazolo[5,4-b]pyridine-6-carbonitrile

5-amino-2-phenyl-7-thiophen-2-yl-4,7-dihydro-[1,3]oxazolo[5,4-b]pyridine-6-carbonitrile (PubChem CID 5123168) has the molecular formula C17H12N4OS and a molecular weight of 320.38 g/mol. Its IUPAC name is 5-amino-2-phenyl-7-thiophen-2-yl-4,7-dihydro-[1,3]oxazolo[5,4-b]pyridine-6-carbonitrile.

Molecular Properties

Compound Name5-amino-2-phenyl-7-thiophen-2-yl-4,7-dihydro-[1,3]oxazolo[5,4-b]pyridine-6-carbonitrile
PubChem CID5123168
Molecular FormulaC17H12N4OS
Molecular Weight320.38 g/mol
Exact Mass320.07
IUPAC Name5-amino-2-phenyl-7-thiophen-2-yl-4,7-dihydro-[1,3]oxazolo[5,4-b]pyridine-6-carbonitrile
SMILESN#CC1=C(N)Nc2oc(-c3ccccc3)nc2C1c1cccs1
InChIInChI=1S/C17H12N4OS/c18-9-11-13(12-7-4-8-23-12)14-17(21-15(11)19)22-16(20-14)10-5-2-1-3-6-10/h1-8,13,21H,19H2
InChIKeyBXVLFTFXIZUDJP-UHFFFAOYSA-N
XLogP3.65
TPSA87.87 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.38
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-amino-2-phenyl-7-thiophen-2-yl-4,7-dihydro-[1,3]oxazolo[5,4-b]pyridine-6-carbonitrile?
The IUPAC name of 5-amino-2-phenyl-7-thiophen-2-yl-4,7-dihydro-[1,3]oxazolo[5,4-b]pyridine-6-carbonitrile (CID 5123168) is 5-amino-2-phenyl-7-thiophen-2-yl-4,7-dihydro-[1,3]oxazolo[5,4-b]pyridine-6-carbonitrile.
What is the SMILES notation for 5-amino-2-phenyl-7-thiophen-2-yl-4,7-dihydro-[1,3]oxazolo[5,4-b]pyridine-6-carbonitrile?
The canonical SMILES for 5-amino-2-phenyl-7-thiophen-2-yl-4,7-dihydro-[1,3]oxazolo[5,4-b]pyridine-6-carbonitrile is N#CC1=C(N)Nc2oc(-c3ccccc3)nc2C1c1cccs1.
What is the InChIKey of 5-amino-2-phenyl-7-thiophen-2-yl-4,7-dihydro-[1,3]oxazolo[5,4-b]pyridine-6-carbonitrile?
The InChIKey is BXVLFTFXIZUDJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12N4OS/c18-9-11-13(12-7-4-8-23-12)14-17(21-15(11)19)22-16(20-14)10-5-2-1-3-6-10/h1-8,13,21H,19H2.
What are the key properties of 5-amino-2-phenyl-7-thiophen-2-yl-4,7-dihydro-[1,3]oxazolo[5,4-b]pyridine-6-carbonitrile?
5-amino-2-phenyl-7-thiophen-2-yl-4,7-dihydro-[1,3]oxazolo[5,4-b]pyridine-6-carbonitrile has a molecular weight of 320.38 g/mol, XLogP of 3.65, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-phenyl-7-thiophen-2-yl-4,7-dihydro-[1,3]oxazolo[5,4-b]pyridine-6-carbonitrile is sourced from PubChem (CID 5123168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).