5-(3,4-dihydro-2H-quinolin-1-yl)-2-(2-methylphenyl)-1,3-oxazole-4-carbonitrile

C20H17N3O — CID 3388634

IUPAC5-(3,4-dihydro-2H-quinolin-1-yl)-2-(2-methylphenyl)-1,3-oxazole-4-carbonitrile
SMILESCc1ccccc1-c1nc(C#N)c(N2CCCc3ccccc32)o1
InChIInChI=1S/C20H17N3O/c1-14-7-2-4-10-16(14)19-22-17(13-21)20(24-19)23-12-6-9-15-8-3-5-11-18(15)23/h2-5,7-8,10-11H,6,9,12H2,1H3
InChIKeyFDZOONHKMYIIOK-UHFFFAOYSA-N
MW315.38 g/mol
LogP4.61
Rot. Bonds2

About 5-(3,4-dihydro-2H-quinolin-1-yl)-2-(2-methylphenyl)-1,3-oxazole-4-carbonitrile

5-(3,4-dihydro-2H-quinolin-1-yl)-2-(2-methylphenyl)-1,3-oxazole-4-carbonitrile (PubChem CID 3388634) has the molecular formula C20H17N3O and a molecular weight of 315.38 g/mol. Its IUPAC name is 5-(3,4-dihydro-2H-quinolin-1-yl)-2-(2-methylphenyl)-1,3-oxazole-4-carbonitrile.

Molecular Properties

Compound Name5-(3,4-dihydro-2H-quinolin-1-yl)-2-(2-methylphenyl)-1,3-oxazole-4-carbonitrile
PubChem CID3388634
Molecular FormulaC20H17N3O
Molecular Weight315.38 g/mol
Exact Mass315.14
IUPAC Name5-(3,4-dihydro-2H-quinolin-1-yl)-2-(2-methylphenyl)-1,3-oxazole-4-carbonitrile
SMILESCc1ccccc1-c1nc(C#N)c(N2CCCc3ccccc32)o1
InChIInChI=1S/C20H17N3O/c1-14-7-2-4-10-16(14)19-22-17(13-21)20(24-19)23-12-6-9-15-8-3-5-11-18(15)23/h2-5,7-8,10-11H,6,9,12H2,1H3
InChIKeyFDZOONHKMYIIOK-UHFFFAOYSA-N
XLogP4.61
TPSA53.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.38
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(3,4-dihydro-2H-quinolin-1-yl)-2-(2-methylphenyl)-1,3-oxazole-4-carbonitrile?
The IUPAC name of 5-(3,4-dihydro-2H-quinolin-1-yl)-2-(2-methylphenyl)-1,3-oxazole-4-carbonitrile (CID 3388634) is 5-(3,4-dihydro-2H-quinolin-1-yl)-2-(2-methylphenyl)-1,3-oxazole-4-carbonitrile.
What is the SMILES notation for 5-(3,4-dihydro-2H-quinolin-1-yl)-2-(2-methylphenyl)-1,3-oxazole-4-carbonitrile?
The canonical SMILES for 5-(3,4-dihydro-2H-quinolin-1-yl)-2-(2-methylphenyl)-1,3-oxazole-4-carbonitrile is Cc1ccccc1-c1nc(C#N)c(N2CCCc3ccccc32)o1.
What is the InChIKey of 5-(3,4-dihydro-2H-quinolin-1-yl)-2-(2-methylphenyl)-1,3-oxazole-4-carbonitrile?
The InChIKey is FDZOONHKMYIIOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3O/c1-14-7-2-4-10-16(14)19-22-17(13-21)20(24-19)23-12-6-9-15-8-3-5-11-18(15)23/h2-5,7-8,10-11H,6,9,12H2,1H3.
What are the key properties of 5-(3,4-dihydro-2H-quinolin-1-yl)-2-(2-methylphenyl)-1,3-oxazole-4-carbonitrile?
5-(3,4-dihydro-2H-quinolin-1-yl)-2-(2-methylphenyl)-1,3-oxazole-4-carbonitrile has a molecular weight of 315.38 g/mol, XLogP of 4.61, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,4-dihydro-2H-quinolin-1-yl)-2-(2-methylphenyl)-1,3-oxazole-4-carbonitrile is sourced from PubChem (CID 3388634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).