5-chloro-6-[4-(5-methyl-4-phenyl-1,3-oxazol-2-yl)piperidin-1-yl]pyridine-3-carbonitrile

C21H19ClN4O — CID 99812003

IUPAC5-chloro-6-[4-(5-methyl-4-phenyl-1,3-oxazol-2-yl)piperidin-1-yl]pyridine-3-carbonitrile
SMILESCc1oc(C2CCN(c3ncc(C#N)cc3Cl)CC2)nc1-c1ccccc1
InChIInChI=1S/C21H19ClN4O/c1-14-19(16-5-3-2-4-6-16)25-21(27-14)17-7-9-26(10-8-17)20-18(22)11-15(12-23)13-24-20/h2-6,11,13,17H,7-10H2,1H3
InChIKeyFFTRXVKPJJMZMS-UHFFFAOYSA-N
MW378.86 g/mol
LogP4.95
Rot. Bonds3

About 5-chloro-6-[4-(5-methyl-4-phenyl-1,3-oxazol-2-yl)piperidin-1-yl]pyridine-3-carbonitrile

5-chloro-6-[4-(5-methyl-4-phenyl-1,3-oxazol-2-yl)piperidin-1-yl]pyridine-3-carbonitrile (PubChem CID 99812003) has the molecular formula C21H19ClN4O and a molecular weight of 378.86 g/mol. Its IUPAC name is 5-chloro-6-[4-(5-methyl-4-phenyl-1,3-oxazol-2-yl)piperidin-1-yl]pyridine-3-carbonitrile.

Molecular Properties

Compound Name5-chloro-6-[4-(5-methyl-4-phenyl-1,3-oxazol-2-yl)piperidin-1-yl]pyridine-3-carbonitrile
PubChem CID99812003
Molecular FormulaC21H19ClN4O
Molecular Weight378.86 g/mol
Exact Mass378.12
IUPAC Name5-chloro-6-[4-(5-methyl-4-phenyl-1,3-oxazol-2-yl)piperidin-1-yl]pyridine-3-carbonitrile
SMILESCc1oc(C2CCN(c3ncc(C#N)cc3Cl)CC2)nc1-c1ccccc1
InChIInChI=1S/C21H19ClN4O/c1-14-19(16-5-3-2-4-6-16)25-21(27-14)17-7-9-26(10-8-17)20-18(22)11-15(12-23)13-24-20/h2-6,11,13,17H,7-10H2,1H3
InChIKeyFFTRXVKPJJMZMS-UHFFFAOYSA-N
XLogP4.95
TPSA65.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.86
LogP ≤ 54.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-[4-(5-methyl-4-phenyl-1,3-oxazol-2-yl)piperidin-1-yl]pyridine-3-carbonitrile?
The IUPAC name of 5-chloro-6-[4-(5-methyl-4-phenyl-1,3-oxazol-2-yl)piperidin-1-yl]pyridine-3-carbonitrile (CID 99812003) is 5-chloro-6-[4-(5-methyl-4-phenyl-1,3-oxazol-2-yl)piperidin-1-yl]pyridine-3-carbonitrile.
What is the SMILES notation for 5-chloro-6-[4-(5-methyl-4-phenyl-1,3-oxazol-2-yl)piperidin-1-yl]pyridine-3-carbonitrile?
The canonical SMILES for 5-chloro-6-[4-(5-methyl-4-phenyl-1,3-oxazol-2-yl)piperidin-1-yl]pyridine-3-carbonitrile is Cc1oc(C2CCN(c3ncc(C#N)cc3Cl)CC2)nc1-c1ccccc1.
What is the InChIKey of 5-chloro-6-[4-(5-methyl-4-phenyl-1,3-oxazol-2-yl)piperidin-1-yl]pyridine-3-carbonitrile?
The InChIKey is FFTRXVKPJJMZMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19ClN4O/c1-14-19(16-5-3-2-4-6-16)25-21(27-14)17-7-9-26(10-8-17)20-18(22)11-15(12-23)13-24-20/h2-6,11,13,17H,7-10H2,1H3.
What are the key properties of 5-chloro-6-[4-(5-methyl-4-phenyl-1,3-oxazol-2-yl)piperidin-1-yl]pyridine-3-carbonitrile?
5-chloro-6-[4-(5-methyl-4-phenyl-1,3-oxazol-2-yl)piperidin-1-yl]pyridine-3-carbonitrile has a molecular weight of 378.86 g/mol, XLogP of 4.95, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-[4-(5-methyl-4-phenyl-1,3-oxazol-2-yl)piperidin-1-yl]pyridine-3-carbonitrile is sourced from PubChem (CID 99812003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).