N-[2-([1,3]oxazolo[4,5-b]pyridin-2-ylsulfanyl)ethyl]-N-propan-2-ylpropan-2-amine

C14H21N3OS — CID 15035818

IUPACN-[2-([1,3]oxazolo[4,5-b]pyridin-2-ylsulfanyl)ethyl]-N-propan-2-ylpropan-2-amine
SMILESCC(C)N(CCSc1nc2ncccc2o1)C(C)C
InChIInChI=1S/C14H21N3OS/c1-10(2)17(11(3)4)8-9-19-14-16-13-12(18-14)6-5-7-15-13/h5-7,10-11H,8-9H2,1-4H3
InChIKeyJKBGJFCHTCKFIB-UHFFFAOYSA-N
MW279.41 g/mol
LogP3.43
Rot. Bonds6

About N-[2-([1,3]oxazolo[4,5-b]pyridin-2-ylsulfanyl)ethyl]-N-propan-2-ylpropan-2-amine

N-[2-([1,3]oxazolo[4,5-b]pyridin-2-ylsulfanyl)ethyl]-N-propan-2-ylpropan-2-amine (PubChem CID 15035818) has the molecular formula C14H21N3OS and a molecular weight of 279.41 g/mol. Its IUPAC name is N-[2-([1,3]oxazolo[4,5-b]pyridin-2-ylsulfanyl)ethyl]-N-propan-2-ylpropan-2-amine.

Molecular Properties

Compound NameN-[2-([1,3]oxazolo[4,5-b]pyridin-2-ylsulfanyl)ethyl]-N-propan-2-ylpropan-2-amine
PubChem CID15035818
Molecular FormulaC14H21N3OS
Molecular Weight279.41 g/mol
Exact Mass279.14
IUPAC NameN-[2-([1,3]oxazolo[4,5-b]pyridin-2-ylsulfanyl)ethyl]-N-propan-2-ylpropan-2-amine
SMILESCC(C)N(CCSc1nc2ncccc2o1)C(C)C
InChIInChI=1S/C14H21N3OS/c1-10(2)17(11(3)4)8-9-19-14-16-13-12(18-14)6-5-7-15-13/h5-7,10-11H,8-9H2,1-4H3
InChIKeyJKBGJFCHTCKFIB-UHFFFAOYSA-N
XLogP3.43
TPSA42.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.41
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-([1,3]oxazolo[4,5-b]pyridin-2-ylsulfanyl)ethyl]-N-propan-2-ylpropan-2-amine?
The IUPAC name of N-[2-([1,3]oxazolo[4,5-b]pyridin-2-ylsulfanyl)ethyl]-N-propan-2-ylpropan-2-amine (CID 15035818) is N-[2-([1,3]oxazolo[4,5-b]pyridin-2-ylsulfanyl)ethyl]-N-propan-2-ylpropan-2-amine.
What is the SMILES notation for N-[2-([1,3]oxazolo[4,5-b]pyridin-2-ylsulfanyl)ethyl]-N-propan-2-ylpropan-2-amine?
The canonical SMILES for N-[2-([1,3]oxazolo[4,5-b]pyridin-2-ylsulfanyl)ethyl]-N-propan-2-ylpropan-2-amine is CC(C)N(CCSc1nc2ncccc2o1)C(C)C.
What is the InChIKey of N-[2-([1,3]oxazolo[4,5-b]pyridin-2-ylsulfanyl)ethyl]-N-propan-2-ylpropan-2-amine?
The InChIKey is JKBGJFCHTCKFIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3OS/c1-10(2)17(11(3)4)8-9-19-14-16-13-12(18-14)6-5-7-15-13/h5-7,10-11H,8-9H2,1-4H3.
What are the key properties of N-[2-([1,3]oxazolo[4,5-b]pyridin-2-ylsulfanyl)ethyl]-N-propan-2-ylpropan-2-amine?
N-[2-([1,3]oxazolo[4,5-b]pyridin-2-ylsulfanyl)ethyl]-N-propan-2-ylpropan-2-amine has a molecular weight of 279.41 g/mol, XLogP of 3.43, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-([1,3]oxazolo[4,5-b]pyridin-2-ylsulfanyl)ethyl]-N-propan-2-ylpropan-2-amine is sourced from PubChem (CID 15035818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).