5-heptan-4-yl-4-pyridin-3-yl-1,2-oxazol-3-amine

C15H21N3O — CID 82988157

IUPAC5-heptan-4-yl-4-pyridin-3-yl-1,2-oxazol-3-amine
SMILESCCCC(CCC)c1onc(N)c1-c1cccnc1
InChIInChI=1S/C15H21N3O/c1-3-6-11(7-4-2)14-13(15(16)18-19-14)12-8-5-9-17-10-12/h5,8-11H,3-4,6-7H2,1-2H3,(H2,16,18)
InChIKeyKQVXEKKMWYNYNJ-UHFFFAOYSA-N
MW259.35 g/mol
LogP4.00
Rot. Bonds6

About 5-heptan-4-yl-4-pyridin-3-yl-1,2-oxazol-3-amine

5-heptan-4-yl-4-pyridin-3-yl-1,2-oxazol-3-amine (PubChem CID 82988157) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is 5-heptan-4-yl-4-pyridin-3-yl-1,2-oxazol-3-amine.

Molecular Properties

Compound Name5-heptan-4-yl-4-pyridin-3-yl-1,2-oxazol-3-amine
PubChem CID82988157
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC Name5-heptan-4-yl-4-pyridin-3-yl-1,2-oxazol-3-amine
SMILESCCCC(CCC)c1onc(N)c1-c1cccnc1
InChIInChI=1S/C15H21N3O/c1-3-6-11(7-4-2)14-13(15(16)18-19-14)12-8-5-9-17-10-12/h5,8-11H,3-4,6-7H2,1-2H3,(H2,16,18)
InChIKeyKQVXEKKMWYNYNJ-UHFFFAOYSA-N
XLogP4.00
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-heptan-4-yl-4-pyridin-3-yl-1,2-oxazol-3-amine?
The IUPAC name of 5-heptan-4-yl-4-pyridin-3-yl-1,2-oxazol-3-amine (CID 82988157) is 5-heptan-4-yl-4-pyridin-3-yl-1,2-oxazol-3-amine.
What is the SMILES notation for 5-heptan-4-yl-4-pyridin-3-yl-1,2-oxazol-3-amine?
The canonical SMILES for 5-heptan-4-yl-4-pyridin-3-yl-1,2-oxazol-3-amine is CCCC(CCC)c1onc(N)c1-c1cccnc1.
What is the InChIKey of 5-heptan-4-yl-4-pyridin-3-yl-1,2-oxazol-3-amine?
The InChIKey is KQVXEKKMWYNYNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O/c1-3-6-11(7-4-2)14-13(15(16)18-19-14)12-8-5-9-17-10-12/h5,8-11H,3-4,6-7H2,1-2H3,(H2,16,18).
What are the key properties of 5-heptan-4-yl-4-pyridin-3-yl-1,2-oxazol-3-amine?
5-heptan-4-yl-4-pyridin-3-yl-1,2-oxazol-3-amine has a molecular weight of 259.35 g/mol, XLogP of 4.00, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-heptan-4-yl-4-pyridin-3-yl-1,2-oxazol-3-amine is sourced from PubChem (CID 82988157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).