2-methoxy-1-[4-(5-propyl-1,3,4-oxadiazole-2-carbonyl)-1,4-diazepan-1-yl]ethanone

C14H22N4O4 — CID 56870827

IUPAC2-methoxy-1-[4-(5-propyl-1,3,4-oxadiazole-2-carbonyl)-1,4-diazepan-1-yl]ethanone
SMILESCCCc1nnc(C(=O)N2CCCN(C(=O)COC)CC2)o1
InChIInChI=1S/C14H22N4O4/c1-3-5-11-15-16-13(22-11)14(20)18-7-4-6-17(8-9-18)12(19)10-21-2/h3-10H2,1-2H3
InChIKeyZLSNIKRKRRMCDQ-UHFFFAOYSA-N
MW310.35 g/mol
LogP0.34
Rot. Bonds5

About 2-methoxy-1-[4-(5-propyl-1,3,4-oxadiazole-2-carbonyl)-1,4-diazepan-1-yl]ethanone

2-methoxy-1-[4-(5-propyl-1,3,4-oxadiazole-2-carbonyl)-1,4-diazepan-1-yl]ethanone (PubChem CID 56870827) has the molecular formula C14H22N4O4 and a molecular weight of 310.35 g/mol. Its IUPAC name is 2-methoxy-1-[4-(5-propyl-1,3,4-oxadiazole-2-carbonyl)-1,4-diazepan-1-yl]ethanone.

Molecular Properties

Compound Name2-methoxy-1-[4-(5-propyl-1,3,4-oxadiazole-2-carbonyl)-1,4-diazepan-1-yl]ethanone
PubChem CID56870827
Molecular FormulaC14H22N4O4
Molecular Weight310.35 g/mol
Exact Mass310.16
IUPAC Name2-methoxy-1-[4-(5-propyl-1,3,4-oxadiazole-2-carbonyl)-1,4-diazepan-1-yl]ethanone
SMILESCCCc1nnc(C(=O)N2CCCN(C(=O)COC)CC2)o1
InChIInChI=1S/C14H22N4O4/c1-3-5-11-15-16-13(22-11)14(20)18-7-4-6-17(8-9-18)12(19)10-21-2/h3-10H2,1-2H3
InChIKeyZLSNIKRKRRMCDQ-UHFFFAOYSA-N
XLogP0.34
TPSA88.77 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.35
LogP ≤ 50.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-1-[4-(5-propyl-1,3,4-oxadiazole-2-carbonyl)-1,4-diazepan-1-yl]ethanone?
The IUPAC name of 2-methoxy-1-[4-(5-propyl-1,3,4-oxadiazole-2-carbonyl)-1,4-diazepan-1-yl]ethanone (CID 56870827) is 2-methoxy-1-[4-(5-propyl-1,3,4-oxadiazole-2-carbonyl)-1,4-diazepan-1-yl]ethanone.
What is the SMILES notation for 2-methoxy-1-[4-(5-propyl-1,3,4-oxadiazole-2-carbonyl)-1,4-diazepan-1-yl]ethanone?
The canonical SMILES for 2-methoxy-1-[4-(5-propyl-1,3,4-oxadiazole-2-carbonyl)-1,4-diazepan-1-yl]ethanone is CCCc1nnc(C(=O)N2CCCN(C(=O)COC)CC2)o1.
What is the InChIKey of 2-methoxy-1-[4-(5-propyl-1,3,4-oxadiazole-2-carbonyl)-1,4-diazepan-1-yl]ethanone?
The InChIKey is ZLSNIKRKRRMCDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O4/c1-3-5-11-15-16-13(22-11)14(20)18-7-4-6-17(8-9-18)12(19)10-21-2/h3-10H2,1-2H3.
What are the key properties of 2-methoxy-1-[4-(5-propyl-1,3,4-oxadiazole-2-carbonyl)-1,4-diazepan-1-yl]ethanone?
2-methoxy-1-[4-(5-propyl-1,3,4-oxadiazole-2-carbonyl)-1,4-diazepan-1-yl]ethanone has a molecular weight of 310.35 g/mol, XLogP of 0.34, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-1-[4-(5-propyl-1,3,4-oxadiazole-2-carbonyl)-1,4-diazepan-1-yl]ethanone is sourced from PubChem (CID 56870827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).