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

C12H19N5O2 — CID 43340906

IUPACN-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-2-(1,4-diazepan-1-yl)acetamide
SMILESO=C(CN1CCCNCC1)Nc1nnc(C2CC2)o1
InChIInChI=1S/C12H19N5O2/c18-10(8-17-6-1-4-13-5-7-17)14-12-16-15-11(19-12)9-2-3-9/h9,13H,1-8H2,(H,14,16,18)
InChIKeyBGGQKFYELOUVLE-UHFFFAOYSA-N
MW265.32 g/mol
LogP0.18
Rot. Bonds4

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

N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-2-(1,4-diazepan-1-yl)acetamide (PubChem CID 43340906) has the molecular formula C12H19N5O2 and a molecular weight of 265.32 g/mol. Its IUPAC name is N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-2-(1,4-diazepan-1-yl)acetamide.

Molecular Properties

Compound NameN-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-2-(1,4-diazepan-1-yl)acetamide
PubChem CID43340906
Molecular FormulaC12H19N5O2
Molecular Weight265.32 g/mol
Exact Mass265.15
IUPAC NameN-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-2-(1,4-diazepan-1-yl)acetamide
SMILESO=C(CN1CCCNCC1)Nc1nnc(C2CC2)o1
InChIInChI=1S/C12H19N5O2/c18-10(8-17-6-1-4-13-5-7-17)14-12-16-15-11(19-12)9-2-3-9/h9,13H,1-8H2,(H,14,16,18)
InChIKeyBGGQKFYELOUVLE-UHFFFAOYSA-N
XLogP0.18
TPSA83.29 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.32
LogP ≤ 50.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-2-(1,4-diazepan-1-yl)acetamide?
The IUPAC name of N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-2-(1,4-diazepan-1-yl)acetamide (CID 43340906) is N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-2-(1,4-diazepan-1-yl)acetamide.
What is the SMILES notation for N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-2-(1,4-diazepan-1-yl)acetamide?
The canonical SMILES for N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-2-(1,4-diazepan-1-yl)acetamide is O=C(CN1CCCNCC1)Nc1nnc(C2CC2)o1.
What is the InChIKey of N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-2-(1,4-diazepan-1-yl)acetamide?
The InChIKey is BGGQKFYELOUVLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5O2/c18-10(8-17-6-1-4-13-5-7-17)14-12-16-15-11(19-12)9-2-3-9/h9,13H,1-8H2,(H,14,16,18).
What are the key properties of N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-2-(1,4-diazepan-1-yl)acetamide?
N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-2-(1,4-diazepan-1-yl)acetamide has a molecular weight of 265.32 g/mol, XLogP of 0.18, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-2-(1,4-diazepan-1-yl)acetamide is sourced from PubChem (CID 43340906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).