azocan-1-yl-(3-ethyl-5-methyl-1,2-oxazol-4-yl)methanone

C14H22N2O2 — CID 6464790

IUPACazocan-1-yl-(3-ethyl-5-methyl-1,2-oxazol-4-yl)methanone
SMILESCCc1noc(C)c1C(=O)N1CCCCCCC1
InChIInChI=1S/C14H22N2O2/c1-3-12-13(11(2)18-15-12)14(17)16-9-7-5-4-6-8-10-16/h3-10H2,1-2H3
InChIKeyMZPKPBCOGAXBKJ-UHFFFAOYSA-N
MW250.34 g/mol
LogP2.95
Rot. Bonds2

About azocan-1-yl-(3-ethyl-5-methyl-1,2-oxazol-4-yl)methanone

azocan-1-yl-(3-ethyl-5-methyl-1,2-oxazol-4-yl)methanone (PubChem CID 6464790) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is azocan-1-yl-(3-ethyl-5-methyl-1,2-oxazol-4-yl)methanone.

Molecular Properties

Compound Nameazocan-1-yl-(3-ethyl-5-methyl-1,2-oxazol-4-yl)methanone
PubChem CID6464790
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Nameazocan-1-yl-(3-ethyl-5-methyl-1,2-oxazol-4-yl)methanone
SMILESCCc1noc(C)c1C(=O)N1CCCCCCC1
InChIInChI=1S/C14H22N2O2/c1-3-12-13(11(2)18-15-12)14(17)16-9-7-5-4-6-8-10-16/h3-10H2,1-2H3
InChIKeyMZPKPBCOGAXBKJ-UHFFFAOYSA-N
XLogP2.95
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of azocan-1-yl-(3-ethyl-5-methyl-1,2-oxazol-4-yl)methanone?
The IUPAC name of azocan-1-yl-(3-ethyl-5-methyl-1,2-oxazol-4-yl)methanone (CID 6464790) is azocan-1-yl-(3-ethyl-5-methyl-1,2-oxazol-4-yl)methanone.
What is the SMILES notation for azocan-1-yl-(3-ethyl-5-methyl-1,2-oxazol-4-yl)methanone?
The canonical SMILES for azocan-1-yl-(3-ethyl-5-methyl-1,2-oxazol-4-yl)methanone is CCc1noc(C)c1C(=O)N1CCCCCCC1.
What is the InChIKey of azocan-1-yl-(3-ethyl-5-methyl-1,2-oxazol-4-yl)methanone?
The InChIKey is MZPKPBCOGAXBKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-3-12-13(11(2)18-15-12)14(17)16-9-7-5-4-6-8-10-16/h3-10H2,1-2H3.
What are the key properties of azocan-1-yl-(3-ethyl-5-methyl-1,2-oxazol-4-yl)methanone?
azocan-1-yl-(3-ethyl-5-methyl-1,2-oxazol-4-yl)methanone has a molecular weight of 250.34 g/mol, XLogP of 2.95, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for azocan-1-yl-(3-ethyl-5-methyl-1,2-oxazol-4-yl)methanone is sourced from PubChem (CID 6464790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).