5-(3,4-dihydro-1H-isoquinolin-2-yl)-2-pyridin-3-yl-1,3-oxazole-4-carbonitrile

C18H14N4O — CID 46300252

IUPAC5-(3,4-dihydro-1H-isoquinolin-2-yl)-2-pyridin-3-yl-1,3-oxazole-4-carbonitrile
SMILESN#Cc1nc(-c2cccnc2)oc1N1CCc2ccccc2C1
InChIInChI=1S/C18H14N4O/c19-10-16-18(23-17(21-16)14-6-3-8-20-11-14)22-9-7-13-4-1-2-5-15(13)12-22/h1-6,8,11H,7,9,12H2
InChIKeyPCSGVXCMJZOUAD-UHFFFAOYSA-N
MW302.34 g/mol
LogP3.17
Rot. Bonds2

About 5-(3,4-dihydro-1H-isoquinolin-2-yl)-2-pyridin-3-yl-1,3-oxazole-4-carbonitrile

5-(3,4-dihydro-1H-isoquinolin-2-yl)-2-pyridin-3-yl-1,3-oxazole-4-carbonitrile (PubChem CID 46300252) has the molecular formula C18H14N4O and a molecular weight of 302.34 g/mol. Its IUPAC name is 5-(3,4-dihydro-1H-isoquinolin-2-yl)-2-pyridin-3-yl-1,3-oxazole-4-carbonitrile.

Molecular Properties

Compound Name5-(3,4-dihydro-1H-isoquinolin-2-yl)-2-pyridin-3-yl-1,3-oxazole-4-carbonitrile
PubChem CID46300252
Molecular FormulaC18H14N4O
Molecular Weight302.34 g/mol
Exact Mass302.12
IUPAC Name5-(3,4-dihydro-1H-isoquinolin-2-yl)-2-pyridin-3-yl-1,3-oxazole-4-carbonitrile
SMILESN#Cc1nc(-c2cccnc2)oc1N1CCc2ccccc2C1
InChIInChI=1S/C18H14N4O/c19-10-16-18(23-17(21-16)14-6-3-8-20-11-14)22-9-7-13-4-1-2-5-15(13)12-22/h1-6,8,11H,7,9,12H2
InChIKeyPCSGVXCMJZOUAD-UHFFFAOYSA-N
XLogP3.17
TPSA65.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.34
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(4-phenylmethoxyphenyl)-1,3-oxazole-4-carbonitrile
CID 18822876
2-[4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)phenyl]-5-piperidin-1-yl-1,3-oxazole-4-carbonitrile
CID 16646562
2-[4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)phenyl]-5-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-1,3-oxazole-4-carbonitrile
CID 51858840
2-phenyl-5-[4-(2-pyridin-4-ylethyl)piperazin-1-yl]-1,3-oxazole-4-carbonitrile
CID 34925173
5-(4-benzylpiperidin-1-yl)-2-[4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)phenyl]-1,3-oxazole-4-carbonitrile
CID 16646575
5-(4-ethylpiperazin-4-ium-1-yl)-2-phenyl-1,3-oxazole-4-carbonitrile
CID 5163524
5-[(2-phenyl-2-pyrrolidin-1-ylethyl)amino]-2-pyridin-3-yl-1,3-oxazole-4-carbonitrile
CID 46300371
5-[(2-phenyl-2-piperidin-1-ylethyl)amino]-2-pyridin-3-yl-1,3-oxazole-4-carbonitrile
CID 46300372
2-(3,4-dihydro-1H-isoquinolin-2-yl)pyridine-3-carbonitrile
CID 17221175
5-[[(2R)-oxolan-2-yl]methylamino]-2-pyridin-3-yl-1,3-oxazole-4-carbonitrile
CID 51699394
2-(4-fluorophenyl)-5-pyrrolidin-1-yl-1,3-oxazole-4-carbonitrile
CID 661055
2-(3-chlorophenyl)-5-morpholin-4-yl-1,3-oxazole-4-carbonitrile
CID 18822676

Frequently Asked Questions

What is the IUPAC name of 5-(3,4-dihydro-1H-isoquinolin-2-yl)-2-pyridin-3-yl-1,3-oxazole-4-carbonitrile?
The IUPAC name of 5-(3,4-dihydro-1H-isoquinolin-2-yl)-2-pyridin-3-yl-1,3-oxazole-4-carbonitrile (CID 46300252) is 5-(3,4-dihydro-1H-isoquinolin-2-yl)-2-pyridin-3-yl-1,3-oxazole-4-carbonitrile.
What is the SMILES notation for 5-(3,4-dihydro-1H-isoquinolin-2-yl)-2-pyridin-3-yl-1,3-oxazole-4-carbonitrile?
The canonical SMILES for 5-(3,4-dihydro-1H-isoquinolin-2-yl)-2-pyridin-3-yl-1,3-oxazole-4-carbonitrile is N#Cc1nc(-c2cccnc2)oc1N1CCc2ccccc2C1.
What is the InChIKey of 5-(3,4-dihydro-1H-isoquinolin-2-yl)-2-pyridin-3-yl-1,3-oxazole-4-carbonitrile?
The InChIKey is PCSGVXCMJZOUAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N4O/c19-10-16-18(23-17(21-16)14-6-3-8-20-11-14)22-9-7-13-4-1-2-5-15(13)12-22/h1-6,8,11H,7,9,12H2.
What are the key properties of 5-(3,4-dihydro-1H-isoquinolin-2-yl)-2-pyridin-3-yl-1,3-oxazole-4-carbonitrile?
5-(3,4-dihydro-1H-isoquinolin-2-yl)-2-pyridin-3-yl-1,3-oxazole-4-carbonitrile has a molecular weight of 302.34 g/mol, XLogP of 3.17, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,4-dihydro-1H-isoquinolin-2-yl)-2-pyridin-3-yl-1,3-oxazole-4-carbonitrile is sourced from PubChem (CID 46300252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).