(3-methyl-2-pyridin-4-yl-1,3-oxazinan-2-yl)-phenylmethanone

C17H18N2O2 — CID 10989683

IUPAC(3-methyl-2-pyridin-4-yl-1,3-oxazinan-2-yl)-phenylmethanone
SMILESCN1CCCOC1(C(=O)c1ccccc1)c1ccncc1
InChIInChI=1S/C17H18N2O2/c1-19-12-5-13-21-17(19,15-8-10-18-11-9-15)16(20)14-6-3-2-4-7-14/h2-4,6-11H,5,12-13H2,1H3
InChIKeyKWUSCXVVURKJSE-UHFFFAOYSA-N
MW282.34 g/mol
LogP2.47
Rot. Bonds3

About (3-methyl-2-pyridin-4-yl-1,3-oxazinan-2-yl)-phenylmethanone

(3-methyl-2-pyridin-4-yl-1,3-oxazinan-2-yl)-phenylmethanone (PubChem CID 10989683) has the molecular formula C17H18N2O2 and a molecular weight of 282.34 g/mol. Its IUPAC name is (3-methyl-2-pyridin-4-yl-1,3-oxazinan-2-yl)-phenylmethanone.

Molecular Properties

Compound Name(3-methyl-2-pyridin-4-yl-1,3-oxazinan-2-yl)-phenylmethanone
PubChem CID10989683
Molecular FormulaC17H18N2O2
Molecular Weight282.34 g/mol
Exact Mass282.14
IUPAC Name(3-methyl-2-pyridin-4-yl-1,3-oxazinan-2-yl)-phenylmethanone
SMILESCN1CCCOC1(C(=O)c1ccccc1)c1ccncc1
InChIInChI=1S/C17H18N2O2/c1-19-12-5-13-21-17(19,15-8-10-18-11-9-15)16(20)14-6-3-2-4-7-14/h2-4,6-11H,5,12-13H2,1H3
InChIKeyKWUSCXVVURKJSE-UHFFFAOYSA-N
XLogP2.47
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3-methyl-2-pyridin-4-yl-1,3-oxazinan-2-yl)-phenylmethanone?
The IUPAC name of (3-methyl-2-pyridin-4-yl-1,3-oxazinan-2-yl)-phenylmethanone (CID 10989683) is (3-methyl-2-pyridin-4-yl-1,3-oxazinan-2-yl)-phenylmethanone.
What is the SMILES notation for (3-methyl-2-pyridin-4-yl-1,3-oxazinan-2-yl)-phenylmethanone?
The canonical SMILES for (3-methyl-2-pyridin-4-yl-1,3-oxazinan-2-yl)-phenylmethanone is CN1CCCOC1(C(=O)c1ccccc1)c1ccncc1.
What is the InChIKey of (3-methyl-2-pyridin-4-yl-1,3-oxazinan-2-yl)-phenylmethanone?
The InChIKey is KWUSCXVVURKJSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O2/c1-19-12-5-13-21-17(19,15-8-10-18-11-9-15)16(20)14-6-3-2-4-7-14/h2-4,6-11H,5,12-13H2,1H3.
What are the key properties of (3-methyl-2-pyridin-4-yl-1,3-oxazinan-2-yl)-phenylmethanone?
(3-methyl-2-pyridin-4-yl-1,3-oxazinan-2-yl)-phenylmethanone has a molecular weight of 282.34 g/mol, XLogP of 2.47, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methyl-2-pyridin-4-yl-1,3-oxazinan-2-yl)-phenylmethanone is sourced from PubChem (CID 10989683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).