azocan-1-yl-(5-ethyl-1,3-oxazol-4-yl)methanone

C13H20N2O2 — CID 97215367

IUPACazocan-1-yl-(5-ethyl-1,3-oxazol-4-yl)methanone
SMILESCCc1ocnc1C(=O)N1CCCCCCC1
InChIInChI=1S/C13H20N2O2/c1-2-11-12(14-10-17-11)13(16)15-8-6-4-3-5-7-9-15/h10H,2-9H2,1H3
InChIKeySLLZWEPAUQJGHF-UHFFFAOYSA-N
MW236.31 g/mol
LogP2.64
Rot. Bonds2

About azocan-1-yl-(5-ethyl-1,3-oxazol-4-yl)methanone

azocan-1-yl-(5-ethyl-1,3-oxazol-4-yl)methanone (PubChem CID 97215367) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is azocan-1-yl-(5-ethyl-1,3-oxazol-4-yl)methanone.

Molecular Properties

Compound Nameazocan-1-yl-(5-ethyl-1,3-oxazol-4-yl)methanone
PubChem CID97215367
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Nameazocan-1-yl-(5-ethyl-1,3-oxazol-4-yl)methanone
SMILESCCc1ocnc1C(=O)N1CCCCCCC1
InChIInChI=1S/C13H20N2O2/c1-2-11-12(14-10-17-11)13(16)15-8-6-4-3-5-7-9-15/h10H,2-9H2,1H3
InChIKeySLLZWEPAUQJGHF-UHFFFAOYSA-N
XLogP2.64
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of azocan-1-yl-(5-ethyl-1,3-oxazol-4-yl)methanone?
The IUPAC name of azocan-1-yl-(5-ethyl-1,3-oxazol-4-yl)methanone (CID 97215367) is azocan-1-yl-(5-ethyl-1,3-oxazol-4-yl)methanone.
What is the SMILES notation for azocan-1-yl-(5-ethyl-1,3-oxazol-4-yl)methanone?
The canonical SMILES for azocan-1-yl-(5-ethyl-1,3-oxazol-4-yl)methanone is CCc1ocnc1C(=O)N1CCCCCCC1.
What is the InChIKey of azocan-1-yl-(5-ethyl-1,3-oxazol-4-yl)methanone?
The InChIKey is SLLZWEPAUQJGHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-2-11-12(14-10-17-11)13(16)15-8-6-4-3-5-7-9-15/h10H,2-9H2,1H3.
What are the key properties of azocan-1-yl-(5-ethyl-1,3-oxazol-4-yl)methanone?
azocan-1-yl-(5-ethyl-1,3-oxazol-4-yl)methanone has a molecular weight of 236.31 g/mol, XLogP of 2.64, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for azocan-1-yl-(5-ethyl-1,3-oxazol-4-yl)methanone is sourced from PubChem (CID 97215367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).