7-methyl-6-(methylamino)-4-(1,2,4-oxadiazol-3-ylmethyl)-1,4-oxazepan-5-one

C10H16N4O3 — CID 20590296

IUPAC7-methyl-6-(methylamino)-4-(1,2,4-oxadiazol-3-ylmethyl)-1,4-oxazepan-5-one
SMILESCNC1C(=O)N(Cc2ncon2)CCOC1C
InChIInChI=1S/C10H16N4O3/c1-7-9(11-2)10(15)14(3-4-16-7)5-8-12-6-17-13-8/h6-7,9,11H,3-5H2,1-2H3
InChIKeyWJZKPPBDZNDTAP-UHFFFAOYSA-N
MW240.26 g/mol
LogP-0.60
Rot. Bonds3

About 7-methyl-6-(methylamino)-4-(1,2,4-oxadiazol-3-ylmethyl)-1,4-oxazepan-5-one

7-methyl-6-(methylamino)-4-(1,2,4-oxadiazol-3-ylmethyl)-1,4-oxazepan-5-one (PubChem CID 20590296) has the molecular formula C10H16N4O3 and a molecular weight of 240.26 g/mol. Its IUPAC name is 7-methyl-6-(methylamino)-4-(1,2,4-oxadiazol-3-ylmethyl)-1,4-oxazepan-5-one.

Molecular Properties

Compound Name7-methyl-6-(methylamino)-4-(1,2,4-oxadiazol-3-ylmethyl)-1,4-oxazepan-5-one
PubChem CID20590296
Molecular FormulaC10H16N4O3
Molecular Weight240.26 g/mol
Exact Mass240.12
IUPAC Name7-methyl-6-(methylamino)-4-(1,2,4-oxadiazol-3-ylmethyl)-1,4-oxazepan-5-one
SMILESCNC1C(=O)N(Cc2ncon2)CCOC1C
InChIInChI=1S/C10H16N4O3/c1-7-9(11-2)10(15)14(3-4-16-7)5-8-12-6-17-13-8/h6-7,9,11H,3-5H2,1-2H3
InChIKeyWJZKPPBDZNDTAP-UHFFFAOYSA-N
XLogP-0.60
TPSA80.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 5-0.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-methyl-6-(methylamino)-4-(1,2,4-oxadiazol-3-ylmethyl)-1,4-oxazepan-5-one?
The IUPAC name of 7-methyl-6-(methylamino)-4-(1,2,4-oxadiazol-3-ylmethyl)-1,4-oxazepan-5-one (CID 20590296) is 7-methyl-6-(methylamino)-4-(1,2,4-oxadiazol-3-ylmethyl)-1,4-oxazepan-5-one.
What is the SMILES notation for 7-methyl-6-(methylamino)-4-(1,2,4-oxadiazol-3-ylmethyl)-1,4-oxazepan-5-one?
The canonical SMILES for 7-methyl-6-(methylamino)-4-(1,2,4-oxadiazol-3-ylmethyl)-1,4-oxazepan-5-one is CNC1C(=O)N(Cc2ncon2)CCOC1C.
What is the InChIKey of 7-methyl-6-(methylamino)-4-(1,2,4-oxadiazol-3-ylmethyl)-1,4-oxazepan-5-one?
The InChIKey is WJZKPPBDZNDTAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O3/c1-7-9(11-2)10(15)14(3-4-16-7)5-8-12-6-17-13-8/h6-7,9,11H,3-5H2,1-2H3.
What are the key properties of 7-methyl-6-(methylamino)-4-(1,2,4-oxadiazol-3-ylmethyl)-1,4-oxazepan-5-one?
7-methyl-6-(methylamino)-4-(1,2,4-oxadiazol-3-ylmethyl)-1,4-oxazepan-5-one has a molecular weight of 240.26 g/mol, XLogP of -0.60, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-6-(methylamino)-4-(1,2,4-oxadiazol-3-ylmethyl)-1,4-oxazepan-5-one is sourced from PubChem (CID 20590296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).