azepan-1-yl-(2,5-dimethyl-1,3-oxazol-4-yl)methanone

C12H18N2O2 — CID 53195173

IUPACazepan-1-yl-(2,5-dimethyl-1,3-oxazol-4-yl)methanone
SMILESCc1nc(C(=O)N2CCCCCC2)c(C)o1
InChIInChI=1S/C12H18N2O2/c1-9-11(13-10(2)16-9)12(15)14-7-5-3-4-6-8-14/h3-8H2,1-2H3
InChIKeyAVFTVZDNKFHXSE-UHFFFAOYSA-N
MW222.29 g/mol
LogP2.31
Rot. Bonds1

About azepan-1-yl-(2,5-dimethyl-1,3-oxazol-4-yl)methanone

azepan-1-yl-(2,5-dimethyl-1,3-oxazol-4-yl)methanone (PubChem CID 53195173) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is azepan-1-yl-(2,5-dimethyl-1,3-oxazol-4-yl)methanone.

Molecular Properties

Compound Nameazepan-1-yl-(2,5-dimethyl-1,3-oxazol-4-yl)methanone
PubChem CID53195173
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC Nameazepan-1-yl-(2,5-dimethyl-1,3-oxazol-4-yl)methanone
SMILESCc1nc(C(=O)N2CCCCCC2)c(C)o1
InChIInChI=1S/C12H18N2O2/c1-9-11(13-10(2)16-9)12(15)14-7-5-3-4-6-8-14/h3-8H2,1-2H3
InChIKeyAVFTVZDNKFHXSE-UHFFFAOYSA-N
XLogP2.31
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of azepan-1-yl-(2,5-dimethyl-1,3-oxazol-4-yl)methanone?
The IUPAC name of azepan-1-yl-(2,5-dimethyl-1,3-oxazol-4-yl)methanone (CID 53195173) is azepan-1-yl-(2,5-dimethyl-1,3-oxazol-4-yl)methanone.
What is the SMILES notation for azepan-1-yl-(2,5-dimethyl-1,3-oxazol-4-yl)methanone?
The canonical SMILES for azepan-1-yl-(2,5-dimethyl-1,3-oxazol-4-yl)methanone is Cc1nc(C(=O)N2CCCCCC2)c(C)o1.
What is the InChIKey of azepan-1-yl-(2,5-dimethyl-1,3-oxazol-4-yl)methanone?
The InChIKey is AVFTVZDNKFHXSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2/c1-9-11(13-10(2)16-9)12(15)14-7-5-3-4-6-8-14/h3-8H2,1-2H3.
What are the key properties of azepan-1-yl-(2,5-dimethyl-1,3-oxazol-4-yl)methanone?
azepan-1-yl-(2,5-dimethyl-1,3-oxazol-4-yl)methanone has a molecular weight of 222.29 g/mol, XLogP of 2.31, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for azepan-1-yl-(2,5-dimethyl-1,3-oxazol-4-yl)methanone is sourced from PubChem (CID 53195173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).