2-[5-[(4-methylazepan-1-yl)methyl]-1,2,4-oxadiazol-3-yl]propan-2-amine

C13H24N4O — CID 63624443

IUPAC2-[5-[(4-methylazepan-1-yl)methyl]-1,2,4-oxadiazol-3-yl]propan-2-amine
SMILESCC1CCCN(Cc2nc(C(C)(C)N)no2)CC1
InChIInChI=1S/C13H24N4O/c1-10-5-4-7-17(8-6-10)9-11-15-12(16-18-11)13(2,3)14/h10H,4-9,14H2,1-3H3
InChIKeyYZZQSFSVDKCOSD-UHFFFAOYSA-N
MW252.36 g/mol
LogP1.89
Rot. Bonds3

About 2-[5-[(4-methylazepan-1-yl)methyl]-1,2,4-oxadiazol-3-yl]propan-2-amine

2-[5-[(4-methylazepan-1-yl)methyl]-1,2,4-oxadiazol-3-yl]propan-2-amine (PubChem CID 63624443) has the molecular formula C13H24N4O and a molecular weight of 252.36 g/mol. Its IUPAC name is 2-[5-[(4-methylazepan-1-yl)methyl]-1,2,4-oxadiazol-3-yl]propan-2-amine.

Molecular Properties

Compound Name2-[5-[(4-methylazepan-1-yl)methyl]-1,2,4-oxadiazol-3-yl]propan-2-amine
PubChem CID63624443
Molecular FormulaC13H24N4O
Molecular Weight252.36 g/mol
Exact Mass252.20
IUPAC Name2-[5-[(4-methylazepan-1-yl)methyl]-1,2,4-oxadiazol-3-yl]propan-2-amine
SMILESCC1CCCN(Cc2nc(C(C)(C)N)no2)CC1
InChIInChI=1S/C13H24N4O/c1-10-5-4-7-17(8-6-10)9-11-15-12(16-18-11)13(2,3)14/h10H,4-9,14H2,1-3H3
InChIKeyYZZQSFSVDKCOSD-UHFFFAOYSA-N
XLogP1.89
TPSA68.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[5-[(4-methylazepan-1-yl)methyl]-1,2,4-oxadiazol-3-yl]propan-2-amine?
The IUPAC name of 2-[5-[(4-methylazepan-1-yl)methyl]-1,2,4-oxadiazol-3-yl]propan-2-amine (CID 63624443) is 2-[5-[(4-methylazepan-1-yl)methyl]-1,2,4-oxadiazol-3-yl]propan-2-amine.
What is the SMILES notation for 2-[5-[(4-methylazepan-1-yl)methyl]-1,2,4-oxadiazol-3-yl]propan-2-amine?
The canonical SMILES for 2-[5-[(4-methylazepan-1-yl)methyl]-1,2,4-oxadiazol-3-yl]propan-2-amine is CC1CCCN(Cc2nc(C(C)(C)N)no2)CC1.
What is the InChIKey of 2-[5-[(4-methylazepan-1-yl)methyl]-1,2,4-oxadiazol-3-yl]propan-2-amine?
The InChIKey is YZZQSFSVDKCOSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O/c1-10-5-4-7-17(8-6-10)9-11-15-12(16-18-11)13(2,3)14/h10H,4-9,14H2,1-3H3.
What are the key properties of 2-[5-[(4-methylazepan-1-yl)methyl]-1,2,4-oxadiazol-3-yl]propan-2-amine?
2-[5-[(4-methylazepan-1-yl)methyl]-1,2,4-oxadiazol-3-yl]propan-2-amine has a molecular weight of 252.36 g/mol, XLogP of 1.89, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[(4-methylazepan-1-yl)methyl]-1,2,4-oxadiazol-3-yl]propan-2-amine is sourced from PubChem (CID 63624443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).