N-[2-[5-(propan-2-ylamino)-1,3,4-oxadiazol-2-yl]ethyl]acetamide

C9H16N4O2 — CID 83885775

IUPACN-[2-[5-(propan-2-ylamino)-1,3,4-oxadiazol-2-yl]ethyl]acetamide
SMILESCC(=O)NCCc1nnc(NC(C)C)o1
InChIInChI=1S/C9H16N4O2/c1-6(2)11-9-13-12-8(15-9)4-5-10-7(3)14/h6H,4-5H2,1-3H3,(H,10,14)(H,11,13)
InChIKeyBKIJMLPZUCTGSD-UHFFFAOYSA-N
MW212.25 g/mol
LogP0.57
Rot. Bonds5

About N-[2-[5-(propan-2-ylamino)-1,3,4-oxadiazol-2-yl]ethyl]acetamide

N-[2-[5-(propan-2-ylamino)-1,3,4-oxadiazol-2-yl]ethyl]acetamide (PubChem CID 83885775) has the molecular formula C9H16N4O2 and a molecular weight of 212.25 g/mol. Its IUPAC name is N-[2-[5-(propan-2-ylamino)-1,3,4-oxadiazol-2-yl]ethyl]acetamide.

Molecular Properties

Compound NameN-[2-[5-(propan-2-ylamino)-1,3,4-oxadiazol-2-yl]ethyl]acetamide
PubChem CID83885775
Molecular FormulaC9H16N4O2
Molecular Weight212.25 g/mol
Exact Mass212.13
IUPAC NameN-[2-[5-(propan-2-ylamino)-1,3,4-oxadiazol-2-yl]ethyl]acetamide
SMILESCC(=O)NCCc1nnc(NC(C)C)o1
InChIInChI=1S/C9H16N4O2/c1-6(2)11-9-13-12-8(15-9)4-5-10-7(3)14/h6H,4-5H2,1-3H3,(H,10,14)(H,11,13)
InChIKeyBKIJMLPZUCTGSD-UHFFFAOYSA-N
XLogP0.57
TPSA80.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.25
LogP ≤ 50.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-[5-(propan-2-ylamino)-1,3,4-oxadiazol-2-yl]ethyl]acetamide?
The IUPAC name of N-[2-[5-(propan-2-ylamino)-1,3,4-oxadiazol-2-yl]ethyl]acetamide (CID 83885775) is N-[2-[5-(propan-2-ylamino)-1,3,4-oxadiazol-2-yl]ethyl]acetamide.
What is the SMILES notation for N-[2-[5-(propan-2-ylamino)-1,3,4-oxadiazol-2-yl]ethyl]acetamide?
The canonical SMILES for N-[2-[5-(propan-2-ylamino)-1,3,4-oxadiazol-2-yl]ethyl]acetamide is CC(=O)NCCc1nnc(NC(C)C)o1.
What is the InChIKey of N-[2-[5-(propan-2-ylamino)-1,3,4-oxadiazol-2-yl]ethyl]acetamide?
The InChIKey is BKIJMLPZUCTGSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4O2/c1-6(2)11-9-13-12-8(15-9)4-5-10-7(3)14/h6H,4-5H2,1-3H3,(H,10,14)(H,11,13).
What are the key properties of N-[2-[5-(propan-2-ylamino)-1,3,4-oxadiazol-2-yl]ethyl]acetamide?
N-[2-[5-(propan-2-ylamino)-1,3,4-oxadiazol-2-yl]ethyl]acetamide has a molecular weight of 212.25 g/mol, XLogP of 0.57, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[5-(propan-2-ylamino)-1,3,4-oxadiazol-2-yl]ethyl]acetamide is sourced from PubChem (CID 83885775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).