(2-methylazepan-1-yl)-(5-pyrrolidin-2-yl-1,2,4-oxadiazol-3-yl)methanone

C14H22N4O2 — CID 104971158

IUPAC(2-methylazepan-1-yl)-(5-pyrrolidin-2-yl-1,2,4-oxadiazol-3-yl)methanone
SMILESCC1CCCCCN1C(=O)c1noc(C2CCCN2)n1
InChIInChI=1S/C14H22N4O2/c1-10-6-3-2-4-9-18(10)14(19)12-16-13(20-17-12)11-7-5-8-15-11/h10-11,15H,2-9H2,1H3
InChIKeyZAWPZGUWPIAKGE-UHFFFAOYSA-N
MW278.36 g/mol
LogP1.90
Rot. Bonds2

About (2-methylazepan-1-yl)-(5-pyrrolidin-2-yl-1,2,4-oxadiazol-3-yl)methanone

(2-methylazepan-1-yl)-(5-pyrrolidin-2-yl-1,2,4-oxadiazol-3-yl)methanone (PubChem CID 104971158) has the molecular formula C14H22N4O2 and a molecular weight of 278.36 g/mol. Its IUPAC name is (2-methylazepan-1-yl)-(5-pyrrolidin-2-yl-1,2,4-oxadiazol-3-yl)methanone.

Molecular Properties

Compound Name(2-methylazepan-1-yl)-(5-pyrrolidin-2-yl-1,2,4-oxadiazol-3-yl)methanone
PubChem CID104971158
Molecular FormulaC14H22N4O2
Molecular Weight278.36 g/mol
Exact Mass278.17
IUPAC Name(2-methylazepan-1-yl)-(5-pyrrolidin-2-yl-1,2,4-oxadiazol-3-yl)methanone
SMILESCC1CCCCCN1C(=O)c1noc(C2CCCN2)n1
InChIInChI=1S/C14H22N4O2/c1-10-6-3-2-4-9-18(10)14(19)12-16-13(20-17-12)11-7-5-8-15-11/h10-11,15H,2-9H2,1H3
InChIKeyZAWPZGUWPIAKGE-UHFFFAOYSA-N
XLogP1.90
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2-methylazepan-1-yl)-(5-pyrrolidin-2-yl-1,2,4-oxadiazol-3-yl)methanone?
The IUPAC name of (2-methylazepan-1-yl)-(5-pyrrolidin-2-yl-1,2,4-oxadiazol-3-yl)methanone (CID 104971158) is (2-methylazepan-1-yl)-(5-pyrrolidin-2-yl-1,2,4-oxadiazol-3-yl)methanone.
What is the SMILES notation for (2-methylazepan-1-yl)-(5-pyrrolidin-2-yl-1,2,4-oxadiazol-3-yl)methanone?
The canonical SMILES for (2-methylazepan-1-yl)-(5-pyrrolidin-2-yl-1,2,4-oxadiazol-3-yl)methanone is CC1CCCCCN1C(=O)c1noc(C2CCCN2)n1.
What is the InChIKey of (2-methylazepan-1-yl)-(5-pyrrolidin-2-yl-1,2,4-oxadiazol-3-yl)methanone?
The InChIKey is ZAWPZGUWPIAKGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O2/c1-10-6-3-2-4-9-18(10)14(19)12-16-13(20-17-12)11-7-5-8-15-11/h10-11,15H,2-9H2,1H3.
What are the key properties of (2-methylazepan-1-yl)-(5-pyrrolidin-2-yl-1,2,4-oxadiazol-3-yl)methanone?
(2-methylazepan-1-yl)-(5-pyrrolidin-2-yl-1,2,4-oxadiazol-3-yl)methanone has a molecular weight of 278.36 g/mol, XLogP of 1.90, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methylazepan-1-yl)-(5-pyrrolidin-2-yl-1,2,4-oxadiazol-3-yl)methanone is sourced from PubChem (CID 104971158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).