9-(1,2-oxazol-3-ylmethyl)-N-propyl-9-azabicyclo[3.3.1]nonan-3-amine

C15H25N3O — CID 81173487

IUPAC9-(1,2-oxazol-3-ylmethyl)-N-propyl-9-azabicyclo[3.3.1]nonan-3-amine
SMILESCCCNC1CC2CCCC(C1)N2Cc1ccon1
InChIInChI=1S/C15H25N3O/c1-2-7-16-13-9-14-4-3-5-15(10-13)18(14)11-12-6-8-19-17-12/h6,8,13-16H,2-5,7,9-11H2,1H3
InChIKeyUVPOGQDSOHTDNU-UHFFFAOYSA-N
MW263.38 g/mol
LogP2.56
Rot. Bonds5

About 9-(1,2-oxazol-3-ylmethyl)-N-propyl-9-azabicyclo[3.3.1]nonan-3-amine

9-(1,2-oxazol-3-ylmethyl)-N-propyl-9-azabicyclo[3.3.1]nonan-3-amine (PubChem CID 81173487) has the molecular formula C15H25N3O and a molecular weight of 263.38 g/mol. Its IUPAC name is 9-(1,2-oxazol-3-ylmethyl)-N-propyl-9-azabicyclo[3.3.1]nonan-3-amine.

Molecular Properties

Compound Name9-(1,2-oxazol-3-ylmethyl)-N-propyl-9-azabicyclo[3.3.1]nonan-3-amine
PubChem CID81173487
Molecular FormulaC15H25N3O
Molecular Weight263.38 g/mol
Exact Mass263.20
IUPAC Name9-(1,2-oxazol-3-ylmethyl)-N-propyl-9-azabicyclo[3.3.1]nonan-3-amine
SMILESCCCNC1CC2CCCC(C1)N2Cc1ccon1
InChIInChI=1S/C15H25N3O/c1-2-7-16-13-9-14-4-3-5-15(10-13)18(14)11-12-6-8-19-17-12/h6,8,13-16H,2-5,7,9-11H2,1H3
InChIKeyUVPOGQDSOHTDNU-UHFFFAOYSA-N
XLogP2.56
TPSA41.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 9-(1,2-oxazol-3-ylmethyl)-N-propyl-9-azabicyclo[3.3.1]nonan-3-amine?
The IUPAC name of 9-(1,2-oxazol-3-ylmethyl)-N-propyl-9-azabicyclo[3.3.1]nonan-3-amine (CID 81173487) is 9-(1,2-oxazol-3-ylmethyl)-N-propyl-9-azabicyclo[3.3.1]nonan-3-amine.
What is the SMILES notation for 9-(1,2-oxazol-3-ylmethyl)-N-propyl-9-azabicyclo[3.3.1]nonan-3-amine?
The canonical SMILES for 9-(1,2-oxazol-3-ylmethyl)-N-propyl-9-azabicyclo[3.3.1]nonan-3-amine is CCCNC1CC2CCCC(C1)N2Cc1ccon1.
What is the InChIKey of 9-(1,2-oxazol-3-ylmethyl)-N-propyl-9-azabicyclo[3.3.1]nonan-3-amine?
The InChIKey is UVPOGQDSOHTDNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O/c1-2-7-16-13-9-14-4-3-5-15(10-13)18(14)11-12-6-8-19-17-12/h6,8,13-16H,2-5,7,9-11H2,1H3.
What are the key properties of 9-(1,2-oxazol-3-ylmethyl)-N-propyl-9-azabicyclo[3.3.1]nonan-3-amine?
9-(1,2-oxazol-3-ylmethyl)-N-propyl-9-azabicyclo[3.3.1]nonan-3-amine has a molecular weight of 263.38 g/mol, XLogP of 2.56, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(1,2-oxazol-3-ylmethyl)-N-propyl-9-azabicyclo[3.3.1]nonan-3-amine is sourced from PubChem (CID 81173487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).