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

C12H21N5O2 — CID 43162478

IUPAC2-(1,4-diazepan-1-yl)-N-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)acetamide
SMILESCC(C)c1nnc(NC(=O)CN2CCCNCC2)o1
InChIInChI=1S/C12H21N5O2/c1-9(2)11-15-16-12(19-11)14-10(18)8-17-6-3-4-13-5-7-17/h9,13H,3-8H2,1-2H3,(H,14,16,18)
InChIKeySPVMMQPMJQERHM-UHFFFAOYSA-N
MW267.33 g/mol
LogP0.43
Rot. Bonds4

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

2-(1,4-diazepan-1-yl)-N-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)acetamide (PubChem CID 43162478) has the molecular formula C12H21N5O2 and a molecular weight of 267.33 g/mol. Its IUPAC name is 2-(1,4-diazepan-1-yl)-N-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-(1,4-diazepan-1-yl)-N-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)acetamide
PubChem CID43162478
Molecular FormulaC12H21N5O2
Molecular Weight267.33 g/mol
Exact Mass267.17
IUPAC Name2-(1,4-diazepan-1-yl)-N-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)acetamide
SMILESCC(C)c1nnc(NC(=O)CN2CCCNCC2)o1
InChIInChI=1S/C12H21N5O2/c1-9(2)11-15-16-12(19-11)14-10(18)8-17-6-3-4-13-5-7-17/h9,13H,3-8H2,1-2H3,(H,14,16,18)
InChIKeySPVMMQPMJQERHM-UHFFFAOYSA-N
XLogP0.43
TPSA83.29 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 50.43
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-propan-2-yl-1,3,4-oxadiazol-2-yl)acetamide?
The IUPAC name of 2-(1,4-diazepan-1-yl)-N-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)acetamide (CID 43162478) is 2-(1,4-diazepan-1-yl)-N-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)acetamide.
What is the SMILES notation for 2-(1,4-diazepan-1-yl)-N-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)acetamide?
The canonical SMILES for 2-(1,4-diazepan-1-yl)-N-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)acetamide is CC(C)c1nnc(NC(=O)CN2CCCNCC2)o1.
What is the InChIKey of 2-(1,4-diazepan-1-yl)-N-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)acetamide?
The InChIKey is SPVMMQPMJQERHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5O2/c1-9(2)11-15-16-12(19-11)14-10(18)8-17-6-3-4-13-5-7-17/h9,13H,3-8H2,1-2H3,(H,14,16,18).
What are the key properties of 2-(1,4-diazepan-1-yl)-N-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)acetamide?
2-(1,4-diazepan-1-yl)-N-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)acetamide has a molecular weight of 267.33 g/mol, XLogP of 0.43, 4 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-propan-2-yl-1,3,4-oxadiazol-2-yl)acetamide is sourced from PubChem (CID 43162478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).