8-acetyl-5-amino-7-phenyl-3,7-dihydro-2H-[1,3]oxazolo[3,2-a]pyridine-6-carbonitrile

C16H15N3O2 — CID 10493075

IUPAC8-acetyl-5-amino-7-phenyl-3,7-dihydro-2H-[1,3]oxazolo[3,2-a]pyridine-6-carbonitrile
SMILESCC(=O)C1=C2OCCN2C(N)=C(C#N)C1c1ccccc1
InChIInChI=1S/C16H15N3O2/c1-10(20)13-14(11-5-3-2-4-6-11)12(9-17)15(18)19-7-8-21-16(13)19/h2-6,14H,7-8,18H2,1H3
InChIKeyWMTLGEBRASYLJN-UHFFFAOYSA-N
MW281.31 g/mol
LogP1.61
Rot. Bonds2

About 8-acetyl-5-amino-7-phenyl-3,7-dihydro-2H-[1,3]oxazolo[3,2-a]pyridine-6-carbonitrile

8-acetyl-5-amino-7-phenyl-3,7-dihydro-2H-[1,3]oxazolo[3,2-a]pyridine-6-carbonitrile (PubChem CID 10493075) has the molecular formula C16H15N3O2 and a molecular weight of 281.31 g/mol. Its IUPAC name is 8-acetyl-5-amino-7-phenyl-3,7-dihydro-2H-[1,3]oxazolo[3,2-a]pyridine-6-carbonitrile.

Molecular Properties

Compound Name8-acetyl-5-amino-7-phenyl-3,7-dihydro-2H-[1,3]oxazolo[3,2-a]pyridine-6-carbonitrile
PubChem CID10493075
Molecular FormulaC16H15N3O2
Molecular Weight281.31 g/mol
Exact Mass281.12
IUPAC Name8-acetyl-5-amino-7-phenyl-3,7-dihydro-2H-[1,3]oxazolo[3,2-a]pyridine-6-carbonitrile
SMILESCC(=O)C1=C2OCCN2C(N)=C(C#N)C1c1ccccc1
InChIInChI=1S/C16H15N3O2/c1-10(20)13-14(11-5-3-2-4-6-11)12(9-17)15(18)19-7-8-21-16(13)19/h2-6,14H,7-8,18H2,1H3
InChIKeyWMTLGEBRASYLJN-UHFFFAOYSA-N
XLogP1.61
TPSA79.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-amino-7-phenyl-3,7-dihydro-2H-[1,3]thiazolo[3,2-a]pyridine-6,8-dicarbonitrile
CID 609128
3-(5-acetyl-2-amino-3-cyano-6-methyl-4H-pyran-4-yl)benzoic acid
CID 122691161
(8R)-6-amino-8-phenyl-2,3,4,8-tetrahydropyrido[2,1-b][1,3]thiazine-7,9-dicarbonitrile
CID 7165236
5-amino-6-cyano-N-methyl-3-oxo-7-phenyl-7H-[1,3]thiazolo[3,2-a]pyridine-8-carboxamide
CID 15828810
dimethyl 1-(3-acetylphenyl)-6-amino-5-cyano-4-phenyl-4H-pyridine-2,3-dicarboxylate
CID 168645874
dimethyl 6-amino-5-cyano-4-phenyl-1-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]-4H-pyridine-2,3-dicarboxylate
CID 168643399
3-[2-amino-3-cyano-5,6-bis(methoxycarbonyl)-4-phenyl-4H-pyridin-1-yl]-2-morpholin-4-ylbenzoic acid
CID 168645872
ethyl 6-amino-5-cyano-2-methyl-4-phenyl-4H-pyran-3-carboxylate;hydrate
CID 51056751
(2S,3S)-2-acetyl-5-amino-3-phenyl-2,3-dihydrofuran-4-carbonitrile
CID 102493361
dimethyl 6-amino-5-cyano-1-[4-(4-methylpiperazin-1-yl)phenyl]-4-phenyl-4H-pyridine-2,3-dicarboxylate
CID 168641225
dimethyl 1-(4-acetyl-2,6-dichlorophenyl)-6-amino-5-cyano-4-phenyl-4H-pyridine-2,3-dicarboxylate
CID 168641071
dimethyl 6-amino-5-cyano-1-[2-(cyclopropylamino)phenyl]-4-phenyl-4H-pyridine-2,3-dicarboxylate
CID 168644521

Frequently Asked Questions

What is the IUPAC name of 8-acetyl-5-amino-7-phenyl-3,7-dihydro-2H-[1,3]oxazolo[3,2-a]pyridine-6-carbonitrile?
The IUPAC name of 8-acetyl-5-amino-7-phenyl-3,7-dihydro-2H-[1,3]oxazolo[3,2-a]pyridine-6-carbonitrile (CID 10493075) is 8-acetyl-5-amino-7-phenyl-3,7-dihydro-2H-[1,3]oxazolo[3,2-a]pyridine-6-carbonitrile.
What is the SMILES notation for 8-acetyl-5-amino-7-phenyl-3,7-dihydro-2H-[1,3]oxazolo[3,2-a]pyridine-6-carbonitrile?
The canonical SMILES for 8-acetyl-5-amino-7-phenyl-3,7-dihydro-2H-[1,3]oxazolo[3,2-a]pyridine-6-carbonitrile is CC(=O)C1=C2OCCN2C(N)=C(C#N)C1c1ccccc1.
What is the InChIKey of 8-acetyl-5-amino-7-phenyl-3,7-dihydro-2H-[1,3]oxazolo[3,2-a]pyridine-6-carbonitrile?
The InChIKey is WMTLGEBRASYLJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O2/c1-10(20)13-14(11-5-3-2-4-6-11)12(9-17)15(18)19-7-8-21-16(13)19/h2-6,14H,7-8,18H2,1H3.
What are the key properties of 8-acetyl-5-amino-7-phenyl-3,7-dihydro-2H-[1,3]oxazolo[3,2-a]pyridine-6-carbonitrile?
8-acetyl-5-amino-7-phenyl-3,7-dihydro-2H-[1,3]oxazolo[3,2-a]pyridine-6-carbonitrile has a molecular weight of 281.31 g/mol, XLogP of 1.61, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-acetyl-5-amino-7-phenyl-3,7-dihydro-2H-[1,3]oxazolo[3,2-a]pyridine-6-carbonitrile is sourced from PubChem (CID 10493075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).