5-[2-(2-methylpropyl)-1,3-oxazol-5-yl]-6-quinolin-7-ylpyridine-2-carbonitrile

C22H18N4O — CID 137373540

IUPAC5-[2-(2-methylpropyl)-1,3-oxazol-5-yl]-6-quinolin-7-ylpyridine-2-carbonitrile
SMILESCC(C)Cc1ncc(-c2ccc(C#N)nc2-c2ccc3cccnc3c2)o1
InChIInChI=1S/C22H18N4O/c1-14(2)10-21-25-13-20(27-21)18-8-7-17(12-23)26-22(18)16-6-5-15-4-3-9-24-19(15)11-16/h3-9,11,13-14H,10H2,1-2H3
InChIKeyPVCAYOJJBOXBLH-UHFFFAOYSA-N
MW354.41 g/mol
LogP5.02
Rot. Bonds4

About 5-[2-(2-methylpropyl)-1,3-oxazol-5-yl]-6-quinolin-7-ylpyridine-2-carbonitrile

5-[2-(2-methylpropyl)-1,3-oxazol-5-yl]-6-quinolin-7-ylpyridine-2-carbonitrile (PubChem CID 137373540) has the molecular formula C22H18N4O and a molecular weight of 354.41 g/mol. Its IUPAC name is 5-[2-(2-methylpropyl)-1,3-oxazol-5-yl]-6-quinolin-7-ylpyridine-2-carbonitrile.

Molecular Properties

Compound Name5-[2-(2-methylpropyl)-1,3-oxazol-5-yl]-6-quinolin-7-ylpyridine-2-carbonitrile
PubChem CID137373540
Molecular FormulaC22H18N4O
Molecular Weight354.41 g/mol
Exact Mass354.15
IUPAC Name5-[2-(2-methylpropyl)-1,3-oxazol-5-yl]-6-quinolin-7-ylpyridine-2-carbonitrile
SMILESCC(C)Cc1ncc(-c2ccc(C#N)nc2-c2ccc3cccnc3c2)o1
InChIInChI=1S/C22H18N4O/c1-14(2)10-21-25-13-20(27-21)18-8-7-17(12-23)26-22(18)16-6-5-15-4-3-9-24-19(15)11-16/h3-9,11,13-14H,10H2,1-2H3
InChIKeyPVCAYOJJBOXBLH-UHFFFAOYSA-N
XLogP5.02
TPSA75.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.41
LogP ≤ 55.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

6-quinolin-7-yl-5-[2-(3,3,3-trifluoro-2,2-dimethylpropyl)-1,3-oxazol-5-yl]pyridine-2-carbonitrile
CID 137388784
5-[1-(2,2-difluoro-3-hydroxy-3-methylbutyl)pyrazol-4-yl]-6-quinolin-7-ylpyridine-2-carbonitrile
CID 151465416
5-[2-(2-cyclopropyl-2-fluoroethyl)-1,3-oxazol-5-yl]-6-imidazo[1,2-a]pyridin-7-ylpyridine-2-carbonitrile
CID 137374261
6-quinolin-7-yl-5-[1-(spiro[2.2]pentan-2-ylmethyl)pyrazol-4-yl]pyridine-2-carbonitrile
CID 151401083
5-[2-(cyclopropylmethyl)-1,3-oxazol-5-yl]-6-imidazo[1,2-a]pyridin-7-ylpyridine-2-carbonitrile
CID 137373800
6-chloro-5-[2-(2-methyl-3-oxopropyl)-1,3-oxazol-5-yl]pyridine-2-carbonitrile
CID 137373835
6-(2-methyl-3-oxo-1H-isoindol-5-yl)-5-[2-(3,3,3-trifluoro-2,2-dimethylpropyl)-1,3-oxazol-5-yl]pyridine-2-carbonitrile
CID 137373546
7-[6-isocyano-3-[1-(2-methylpropyl)pyrazol-4-yl]-2-pyridinyl]quinoline
CID 162502519
3-methyl-4-quinolin-7-ylaniline
CID 81224279
7-(2-chloro-5-methylpyrimidin-4-yl)quinoline
CID 81221493
7-[4-chloro-3-[5-fluoro-1-(3-methylbutyl)pyrazol-4-yl]-2-pyridinyl]quinoline
CID 162502557
5-[1-(2,2-dimethylpropyl)pyrazol-4-yl]-6-(2-methylbenzotriazol-5-yl)pyridine-2-carbonitrile
CID 137373863

Frequently Asked Questions

What is the IUPAC name of 5-[2-(2-methylpropyl)-1,3-oxazol-5-yl]-6-quinolin-7-ylpyridine-2-carbonitrile?
The IUPAC name of 5-[2-(2-methylpropyl)-1,3-oxazol-5-yl]-6-quinolin-7-ylpyridine-2-carbonitrile (CID 137373540) is 5-[2-(2-methylpropyl)-1,3-oxazol-5-yl]-6-quinolin-7-ylpyridine-2-carbonitrile.
What is the SMILES notation for 5-[2-(2-methylpropyl)-1,3-oxazol-5-yl]-6-quinolin-7-ylpyridine-2-carbonitrile?
The canonical SMILES for 5-[2-(2-methylpropyl)-1,3-oxazol-5-yl]-6-quinolin-7-ylpyridine-2-carbonitrile is CC(C)Cc1ncc(-c2ccc(C#N)nc2-c2ccc3cccnc3c2)o1.
What is the InChIKey of 5-[2-(2-methylpropyl)-1,3-oxazol-5-yl]-6-quinolin-7-ylpyridine-2-carbonitrile?
The InChIKey is PVCAYOJJBOXBLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N4O/c1-14(2)10-21-25-13-20(27-21)18-8-7-17(12-23)26-22(18)16-6-5-15-4-3-9-24-19(15)11-16/h3-9,11,13-14H,10H2,1-2H3.
What are the key properties of 5-[2-(2-methylpropyl)-1,3-oxazol-5-yl]-6-quinolin-7-ylpyridine-2-carbonitrile?
5-[2-(2-methylpropyl)-1,3-oxazol-5-yl]-6-quinolin-7-ylpyridine-2-carbonitrile has a molecular weight of 354.41 g/mol, XLogP of 5.02, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(2-methylpropyl)-1,3-oxazol-5-yl]-6-quinolin-7-ylpyridine-2-carbonitrile is sourced from PubChem (CID 137373540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).