3-(azepan-2-yl)-5-propan-2-yl-1,2-oxazole

C12H20N2O — CID 46785750

IUPAC3-(azepan-2-yl)-5-propan-2-yl-1,2-oxazole
SMILESCC(C)c1cc(C2CCCCCN2)no1
InChIInChI=1S/C12H20N2O/c1-9(2)12-8-11(14-15-12)10-6-4-3-5-7-13-10/h8-10,13H,3-7H2,1-2H3
InChIKeyFSGMEHRMOGIRCK-UHFFFAOYSA-N
MW208.31 g/mol
LogP3.00
Rot. Bonds2

About 3-(azepan-2-yl)-5-propan-2-yl-1,2-oxazole

3-(azepan-2-yl)-5-propan-2-yl-1,2-oxazole (PubChem CID 46785750) has the molecular formula C12H20N2O and a molecular weight of 208.31 g/mol. Its IUPAC name is 3-(azepan-2-yl)-5-propan-2-yl-1,2-oxazole.

Molecular Properties

Compound Name3-(azepan-2-yl)-5-propan-2-yl-1,2-oxazole
PubChem CID46785750
Molecular FormulaC12H20N2O
Molecular Weight208.31 g/mol
Exact Mass208.16
IUPAC Name3-(azepan-2-yl)-5-propan-2-yl-1,2-oxazole
SMILESCC(C)c1cc(C2CCCCCN2)no1
InChIInChI=1S/C12H20N2O/c1-9(2)12-8-11(14-15-12)10-6-4-3-5-7-13-10/h8-10,13H,3-7H2,1-2H3
InChIKeyFSGMEHRMOGIRCK-UHFFFAOYSA-N
XLogP3.00
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.31
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(azepan-2-yl)-5-propan-2-yl-1,2-oxazole?
The IUPAC name of 3-(azepan-2-yl)-5-propan-2-yl-1,2-oxazole (CID 46785750) is 3-(azepan-2-yl)-5-propan-2-yl-1,2-oxazole.
What is the SMILES notation for 3-(azepan-2-yl)-5-propan-2-yl-1,2-oxazole?
The canonical SMILES for 3-(azepan-2-yl)-5-propan-2-yl-1,2-oxazole is CC(C)c1cc(C2CCCCCN2)no1.
What is the InChIKey of 3-(azepan-2-yl)-5-propan-2-yl-1,2-oxazole?
The InChIKey is FSGMEHRMOGIRCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O/c1-9(2)12-8-11(14-15-12)10-6-4-3-5-7-13-10/h8-10,13H,3-7H2,1-2H3.
What are the key properties of 3-(azepan-2-yl)-5-propan-2-yl-1,2-oxazole?
3-(azepan-2-yl)-5-propan-2-yl-1,2-oxazole has a molecular weight of 208.31 g/mol, XLogP of 3.00, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(azepan-2-yl)-5-propan-2-yl-1,2-oxazole is sourced from PubChem (CID 46785750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).