2-(1,4-diazepan-1-yl)-N-(5-methyl-1,3,4-oxadiazol-2-yl)acetamide

C10H17N5O2 — CID 43162421

IUPAC2-(1,4-diazepan-1-yl)-N-(5-methyl-1,3,4-oxadiazol-2-yl)acetamide
SMILESCc1nnc(NC(=O)CN2CCCNCC2)o1
InChIInChI=1S/C10H17N5O2/c1-8-13-14-10(17-8)12-9(16)7-15-5-2-3-11-4-6-15/h11H,2-7H2,1H3,(H,12,14,16)
InChIKeyNHRPBTIENMGUIZ-UHFFFAOYSA-N
MW239.28 g/mol
LogP-0.39
Rot. Bonds3

About 2-(1,4-diazepan-1-yl)-N-(5-methyl-1,3,4-oxadiazol-2-yl)acetamide

2-(1,4-diazepan-1-yl)-N-(5-methyl-1,3,4-oxadiazol-2-yl)acetamide (PubChem CID 43162421) has the molecular formula C10H17N5O2 and a molecular weight of 239.28 g/mol. Its IUPAC name is 2-(1,4-diazepan-1-yl)-N-(5-methyl-1,3,4-oxadiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-(1,4-diazepan-1-yl)-N-(5-methyl-1,3,4-oxadiazol-2-yl)acetamide
PubChem CID43162421
Molecular FormulaC10H17N5O2
Molecular Weight239.28 g/mol
Exact Mass239.14
IUPAC Name2-(1,4-diazepan-1-yl)-N-(5-methyl-1,3,4-oxadiazol-2-yl)acetamide
SMILESCc1nnc(NC(=O)CN2CCCNCC2)o1
InChIInChI=1S/C10H17N5O2/c1-8-13-14-10(17-8)12-9(16)7-15-5-2-3-11-4-6-15/h11H,2-7H2,1H3,(H,12,14,16)
InChIKeyNHRPBTIENMGUIZ-UHFFFAOYSA-N
XLogP-0.39
TPSA83.29 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.28
LogP ≤ 5-0.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(1,4-diazepan-1-yl)-N-(5-methyl-1,3,4-oxadiazol-2-yl)acetamide?
The IUPAC name of 2-(1,4-diazepan-1-yl)-N-(5-methyl-1,3,4-oxadiazol-2-yl)acetamide (CID 43162421) is 2-(1,4-diazepan-1-yl)-N-(5-methyl-1,3,4-oxadiazol-2-yl)acetamide.
What is the SMILES notation for 2-(1,4-diazepan-1-yl)-N-(5-methyl-1,3,4-oxadiazol-2-yl)acetamide?
The canonical SMILES for 2-(1,4-diazepan-1-yl)-N-(5-methyl-1,3,4-oxadiazol-2-yl)acetamide is Cc1nnc(NC(=O)CN2CCCNCC2)o1.
What is the InChIKey of 2-(1,4-diazepan-1-yl)-N-(5-methyl-1,3,4-oxadiazol-2-yl)acetamide?
The InChIKey is NHRPBTIENMGUIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N5O2/c1-8-13-14-10(17-8)12-9(16)7-15-5-2-3-11-4-6-15/h11H,2-7H2,1H3,(H,12,14,16).
What are the key properties of 2-(1,4-diazepan-1-yl)-N-(5-methyl-1,3,4-oxadiazol-2-yl)acetamide?
2-(1,4-diazepan-1-yl)-N-(5-methyl-1,3,4-oxadiazol-2-yl)acetamide has a molecular weight of 239.28 g/mol, XLogP of -0.39, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,4-diazepan-1-yl)-N-(5-methyl-1,3,4-oxadiazol-2-yl)acetamide is sourced from PubChem (CID 43162421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).