(2R)-2-[6-(5-ethyl-3-methyl-1,2-oxazol-4-yl)-2-pyridinyl]-4-methylsulfonylmorpholine

C16H21N3O4S — CID 125013111

IUPAC(2R)-2-[6-(5-ethyl-3-methyl-1,2-oxazol-4-yl)-2-pyridinyl]-4-methylsulfonylmorpholine
SMILESCCc1onc(C)c1-c1cccc([C@H]2CN(S(C)(=O)=O)CCO2)n1
InChIInChI=1S/C16H21N3O4S/c1-4-14-16(11(2)18-23-14)13-7-5-6-12(17-13)15-10-19(8-9-22-15)24(3,20)21/h5-7,15H,4,8-10H2,1-3H3/t15-/m1/s1
InChIKeyWCUDQRKCKRUSTG-OAHLLOKOSA-N
MW351.43 g/mol
LogP1.94
Rot. Bonds4

About (2R)-2-[6-(5-ethyl-3-methyl-1,2-oxazol-4-yl)-2-pyridinyl]-4-methylsulfonylmorpholine

(2R)-2-[6-(5-ethyl-3-methyl-1,2-oxazol-4-yl)-2-pyridinyl]-4-methylsulfonylmorpholine (PubChem CID 125013111) has the molecular formula C16H21N3O4S and a molecular weight of 351.43 g/mol. Its IUPAC name is (2R)-2-[6-(5-ethyl-3-methyl-1,2-oxazol-4-yl)-2-pyridinyl]-4-methylsulfonylmorpholine.

Molecular Properties

Compound Name(2R)-2-[6-(5-ethyl-3-methyl-1,2-oxazol-4-yl)-2-pyridinyl]-4-methylsulfonylmorpholine
PubChem CID125013111
Molecular FormulaC16H21N3O4S
Molecular Weight351.43 g/mol
Exact Mass351.13
IUPAC Name(2R)-2-[6-(5-ethyl-3-methyl-1,2-oxazol-4-yl)-2-pyridinyl]-4-methylsulfonylmorpholine
SMILESCCc1onc(C)c1-c1cccc([C@H]2CN(S(C)(=O)=O)CCO2)n1
InChIInChI=1S/C16H21N3O4S/c1-4-14-16(11(2)18-23-14)13-7-5-6-12(17-13)15-10-19(8-9-22-15)24(3,20)21/h5-7,15H,4,8-10H2,1-3H3/t15-/m1/s1
InChIKeyWCUDQRKCKRUSTG-OAHLLOKOSA-N
XLogP1.94
TPSA85.53 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.43
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-[6-(5-ethyl-3-methyl-1,2-oxazol-4-yl)-2-pyridinyl]-4-methylsulfonylmorpholine?
The IUPAC name of (2R)-2-[6-(5-ethyl-3-methyl-1,2-oxazol-4-yl)-2-pyridinyl]-4-methylsulfonylmorpholine (CID 125013111) is (2R)-2-[6-(5-ethyl-3-methyl-1,2-oxazol-4-yl)-2-pyridinyl]-4-methylsulfonylmorpholine.
What is the SMILES notation for (2R)-2-[6-(5-ethyl-3-methyl-1,2-oxazol-4-yl)-2-pyridinyl]-4-methylsulfonylmorpholine?
The canonical SMILES for (2R)-2-[6-(5-ethyl-3-methyl-1,2-oxazol-4-yl)-2-pyridinyl]-4-methylsulfonylmorpholine is CCc1onc(C)c1-c1cccc([C@H]2CN(S(C)(=O)=O)CCO2)n1.
What is the InChIKey of (2R)-2-[6-(5-ethyl-3-methyl-1,2-oxazol-4-yl)-2-pyridinyl]-4-methylsulfonylmorpholine?
The InChIKey is WCUDQRKCKRUSTG-OAHLLOKOSA-N. The full InChI is InChI=1S/C16H21N3O4S/c1-4-14-16(11(2)18-23-14)13-7-5-6-12(17-13)15-10-19(8-9-22-15)24(3,20)21/h5-7,15H,4,8-10H2,1-3H3/t15-/m1/s1.
What are the key properties of (2R)-2-[6-(5-ethyl-3-methyl-1,2-oxazol-4-yl)-2-pyridinyl]-4-methylsulfonylmorpholine?
(2R)-2-[6-(5-ethyl-3-methyl-1,2-oxazol-4-yl)-2-pyridinyl]-4-methylsulfonylmorpholine has a molecular weight of 351.43 g/mol, XLogP of 1.94, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[6-(5-ethyl-3-methyl-1,2-oxazol-4-yl)-2-pyridinyl]-4-methylsulfonylmorpholine is sourced from PubChem (CID 125013111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).