6-tert-butylsulfonyl-N-(1,2-oxazol-3-ylmethyl)pyridin-3-amine

C13H17N3O3S — CID 75379530

IUPAC6-tert-butylsulfonyl-N-(1,2-oxazol-3-ylmethyl)pyridin-3-amine
SMILESCC(C)(C)S(=O)(=O)c1ccc(NCc2ccon2)cn1
InChIInChI=1S/C13H17N3O3S/c1-13(2,3)20(17,18)12-5-4-10(8-15-12)14-9-11-6-7-19-16-11/h4-8,14H,9H2,1-3H3
InChIKeyCOLFUOZZRDKRIH-UHFFFAOYSA-N
MW295.36 g/mol
LogP2.25
Rot. Bonds4

About 6-tert-butylsulfonyl-N-(1,2-oxazol-3-ylmethyl)pyridin-3-amine

6-tert-butylsulfonyl-N-(1,2-oxazol-3-ylmethyl)pyridin-3-amine (PubChem CID 75379530) has the molecular formula C13H17N3O3S and a molecular weight of 295.36 g/mol. Its IUPAC name is 6-tert-butylsulfonyl-N-(1,2-oxazol-3-ylmethyl)pyridin-3-amine.

Molecular Properties

Compound Name6-tert-butylsulfonyl-N-(1,2-oxazol-3-ylmethyl)pyridin-3-amine
PubChem CID75379530
Molecular FormulaC13H17N3O3S
Molecular Weight295.36 g/mol
Exact Mass295.10
IUPAC Name6-tert-butylsulfonyl-N-(1,2-oxazol-3-ylmethyl)pyridin-3-amine
SMILESCC(C)(C)S(=O)(=O)c1ccc(NCc2ccon2)cn1
InChIInChI=1S/C13H17N3O3S/c1-13(2,3)20(17,18)12-5-4-10(8-15-12)14-9-11-6-7-19-16-11/h4-8,14H,9H2,1-3H3
InChIKeyCOLFUOZZRDKRIH-UHFFFAOYSA-N
XLogP2.25
TPSA85.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.36
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-tert-butylsulfonyl-N-(1,2-oxazol-3-ylmethyl)pyridin-3-amine?
The IUPAC name of 6-tert-butylsulfonyl-N-(1,2-oxazol-3-ylmethyl)pyridin-3-amine (CID 75379530) is 6-tert-butylsulfonyl-N-(1,2-oxazol-3-ylmethyl)pyridin-3-amine.
What is the SMILES notation for 6-tert-butylsulfonyl-N-(1,2-oxazol-3-ylmethyl)pyridin-3-amine?
The canonical SMILES for 6-tert-butylsulfonyl-N-(1,2-oxazol-3-ylmethyl)pyridin-3-amine is CC(C)(C)S(=O)(=O)c1ccc(NCc2ccon2)cn1.
What is the InChIKey of 6-tert-butylsulfonyl-N-(1,2-oxazol-3-ylmethyl)pyridin-3-amine?
The InChIKey is COLFUOZZRDKRIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O3S/c1-13(2,3)20(17,18)12-5-4-10(8-15-12)14-9-11-6-7-19-16-11/h4-8,14H,9H2,1-3H3.
What are the key properties of 6-tert-butylsulfonyl-N-(1,2-oxazol-3-ylmethyl)pyridin-3-amine?
6-tert-butylsulfonyl-N-(1,2-oxazol-3-ylmethyl)pyridin-3-amine has a molecular weight of 295.36 g/mol, XLogP of 2.25, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butylsulfonyl-N-(1,2-oxazol-3-ylmethyl)pyridin-3-amine is sourced from PubChem (CID 75379530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).