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

C12H17N3O2 — CID 71970083

IUPACN-[2-[5-(cyclopenten-1-yl)-1,2,4-oxadiazol-3-yl]propan-2-yl]acetamide
SMILESCC(=O)NC(C)(C)c1noc(C2=CCCC2)n1
InChIInChI=1S/C12H17N3O2/c1-8(16)14-12(2,3)11-13-10(17-15-11)9-6-4-5-7-9/h6H,4-5,7H2,1-3H3,(H,14,16)
InChIKeyNOJZJNWQDUQRRD-UHFFFAOYSA-N
MW235.29 g/mol
LogP2.01
Rot. Bonds3

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

N-[2-[5-(cyclopenten-1-yl)-1,2,4-oxadiazol-3-yl]propan-2-yl]acetamide (PubChem CID 71970083) has the molecular formula C12H17N3O2 and a molecular weight of 235.29 g/mol. Its IUPAC name is N-[2-[5-(cyclopenten-1-yl)-1,2,4-oxadiazol-3-yl]propan-2-yl]acetamide.

Molecular Properties

Compound NameN-[2-[5-(cyclopenten-1-yl)-1,2,4-oxadiazol-3-yl]propan-2-yl]acetamide
PubChem CID71970083
Molecular FormulaC12H17N3O2
Molecular Weight235.29 g/mol
Exact Mass235.13
IUPAC NameN-[2-[5-(cyclopenten-1-yl)-1,2,4-oxadiazol-3-yl]propan-2-yl]acetamide
SMILESCC(=O)NC(C)(C)c1noc(C2=CCCC2)n1
InChIInChI=1S/C12H17N3O2/c1-8(16)14-12(2,3)11-13-10(17-15-11)9-6-4-5-7-9/h6H,4-5,7H2,1-3H3,(H,14,16)
InChIKeyNOJZJNWQDUQRRD-UHFFFAOYSA-N
XLogP2.01
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-[5-(cyclopenten-1-yl)-1,2,4-oxadiazol-3-yl]propan-2-yl]acetamide?
The IUPAC name of N-[2-[5-(cyclopenten-1-yl)-1,2,4-oxadiazol-3-yl]propan-2-yl]acetamide (CID 71970083) is N-[2-[5-(cyclopenten-1-yl)-1,2,4-oxadiazol-3-yl]propan-2-yl]acetamide.
What is the SMILES notation for N-[2-[5-(cyclopenten-1-yl)-1,2,4-oxadiazol-3-yl]propan-2-yl]acetamide?
The canonical SMILES for N-[2-[5-(cyclopenten-1-yl)-1,2,4-oxadiazol-3-yl]propan-2-yl]acetamide is CC(=O)NC(C)(C)c1noc(C2=CCCC2)n1.
What is the InChIKey of N-[2-[5-(cyclopenten-1-yl)-1,2,4-oxadiazol-3-yl]propan-2-yl]acetamide?
The InChIKey is NOJZJNWQDUQRRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2/c1-8(16)14-12(2,3)11-13-10(17-15-11)9-6-4-5-7-9/h6H,4-5,7H2,1-3H3,(H,14,16).
What are the key properties of N-[2-[5-(cyclopenten-1-yl)-1,2,4-oxadiazol-3-yl]propan-2-yl]acetamide?
N-[2-[5-(cyclopenten-1-yl)-1,2,4-oxadiazol-3-yl]propan-2-yl]acetamide has a molecular weight of 235.29 g/mol, XLogP of 2.01, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[5-(cyclopenten-1-yl)-1,2,4-oxadiazol-3-yl]propan-2-yl]acetamide is sourced from PubChem (CID 71970083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).