2-chloro-6-(4-propan-2-yl-2-pyridin-2-yl-1,3-oxazolidin-3-yl)-4-(trifluoromethyl)pyridine-3-carbonitrile

C18H16ClF3N4O — CID 58265074

IUPAC2-chloro-6-(4-propan-2-yl-2-pyridin-2-yl-1,3-oxazolidin-3-yl)-4-(trifluoromethyl)pyridine-3-carbonitrile
SMILESCC(C)C1COC(c2ccccn2)N1c1cc(C(F)(F)F)c(C#N)c(Cl)n1
InChIInChI=1S/C18H16ClF3N4O/c1-10(2)14-9-27-17(13-5-3-4-6-24-13)26(14)15-7-12(18(20,21)22)11(8-23)16(19)25-15/h3-7,10,14,17H,9H2,1-2H3
InChIKeySWLYLGOBLBOJPT-UHFFFAOYSA-N
MW396.80 g/mol
LogP4.58
Rot. Bonds3

About 2-chloro-6-(4-propan-2-yl-2-pyridin-2-yl-1,3-oxazolidin-3-yl)-4-(trifluoromethyl)pyridine-3-carbonitrile

2-chloro-6-(4-propan-2-yl-2-pyridin-2-yl-1,3-oxazolidin-3-yl)-4-(trifluoromethyl)pyridine-3-carbonitrile (PubChem CID 58265074) has the molecular formula C18H16ClF3N4O and a molecular weight of 396.80 g/mol. Its IUPAC name is 2-chloro-6-(4-propan-2-yl-2-pyridin-2-yl-1,3-oxazolidin-3-yl)-4-(trifluoromethyl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-chloro-6-(4-propan-2-yl-2-pyridin-2-yl-1,3-oxazolidin-3-yl)-4-(trifluoromethyl)pyridine-3-carbonitrile
PubChem CID58265074
Molecular FormulaC18H16ClF3N4O
Molecular Weight396.80 g/mol
Exact Mass396.10
IUPAC Name2-chloro-6-(4-propan-2-yl-2-pyridin-2-yl-1,3-oxazolidin-3-yl)-4-(trifluoromethyl)pyridine-3-carbonitrile
SMILESCC(C)C1COC(c2ccccn2)N1c1cc(C(F)(F)F)c(C#N)c(Cl)n1
InChIInChI=1S/C18H16ClF3N4O/c1-10(2)14-9-27-17(13-5-3-4-6-24-13)26(14)15-7-12(18(20,21)22)11(8-23)16(19)25-15/h3-7,10,14,17H,9H2,1-2H3
InChIKeySWLYLGOBLBOJPT-UHFFFAOYSA-N
XLogP4.58
TPSA62.04 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.80
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-(4-propan-2-yl-2-pyridin-2-yl-1,3-oxazolidin-3-yl)-4-(trifluoromethyl)pyridine-3-carbonitrile?
The IUPAC name of 2-chloro-6-(4-propan-2-yl-2-pyridin-2-yl-1,3-oxazolidin-3-yl)-4-(trifluoromethyl)pyridine-3-carbonitrile (CID 58265074) is 2-chloro-6-(4-propan-2-yl-2-pyridin-2-yl-1,3-oxazolidin-3-yl)-4-(trifluoromethyl)pyridine-3-carbonitrile.
What is the SMILES notation for 2-chloro-6-(4-propan-2-yl-2-pyridin-2-yl-1,3-oxazolidin-3-yl)-4-(trifluoromethyl)pyridine-3-carbonitrile?
The canonical SMILES for 2-chloro-6-(4-propan-2-yl-2-pyridin-2-yl-1,3-oxazolidin-3-yl)-4-(trifluoromethyl)pyridine-3-carbonitrile is CC(C)C1COC(c2ccccn2)N1c1cc(C(F)(F)F)c(C#N)c(Cl)n1.
What is the InChIKey of 2-chloro-6-(4-propan-2-yl-2-pyridin-2-yl-1,3-oxazolidin-3-yl)-4-(trifluoromethyl)pyridine-3-carbonitrile?
The InChIKey is SWLYLGOBLBOJPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClF3N4O/c1-10(2)14-9-27-17(13-5-3-4-6-24-13)26(14)15-7-12(18(20,21)22)11(8-23)16(19)25-15/h3-7,10,14,17H,9H2,1-2H3.
What are the key properties of 2-chloro-6-(4-propan-2-yl-2-pyridin-2-yl-1,3-oxazolidin-3-yl)-4-(trifluoromethyl)pyridine-3-carbonitrile?
2-chloro-6-(4-propan-2-yl-2-pyridin-2-yl-1,3-oxazolidin-3-yl)-4-(trifluoromethyl)pyridine-3-carbonitrile has a molecular weight of 396.80 g/mol, XLogP of 4.58, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-(4-propan-2-yl-2-pyridin-2-yl-1,3-oxazolidin-3-yl)-4-(trifluoromethyl)pyridine-3-carbonitrile is sourced from PubChem (CID 58265074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).