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

C13H24N4O — CID 115081618

IUPACN-methyl-3-[3-(1-propan-2-ylpyrrolidin-2-yl)-1,2,4-oxadiazol-5-yl]propan-1-amine
SMILESCNCCCc1nc(C2CCCN2C(C)C)no1
InChIInChI=1S/C13H24N4O/c1-10(2)17-9-5-6-11(17)13-15-12(18-16-13)7-4-8-14-3/h10-11,14H,4-9H2,1-3H3
InChIKeyPCKAOYLOJKRMQU-UHFFFAOYSA-N
MW252.36 g/mol
LogP1.77
Rot. Bonds6

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

N-methyl-3-[3-(1-propan-2-ylpyrrolidin-2-yl)-1,2,4-oxadiazol-5-yl]propan-1-amine (PubChem CID 115081618) has the molecular formula C13H24N4O and a molecular weight of 252.36 g/mol. Its IUPAC name is N-methyl-3-[3-(1-propan-2-ylpyrrolidin-2-yl)-1,2,4-oxadiazol-5-yl]propan-1-amine.

Molecular Properties

Compound NameN-methyl-3-[3-(1-propan-2-ylpyrrolidin-2-yl)-1,2,4-oxadiazol-5-yl]propan-1-amine
PubChem CID115081618
Molecular FormulaC13H24N4O
Molecular Weight252.36 g/mol
Exact Mass252.20
IUPAC NameN-methyl-3-[3-(1-propan-2-ylpyrrolidin-2-yl)-1,2,4-oxadiazol-5-yl]propan-1-amine
SMILESCNCCCc1nc(C2CCCN2C(C)C)no1
InChIInChI=1S/C13H24N4O/c1-10(2)17-9-5-6-11(17)13-15-12(18-16-13)7-4-8-14-3/h10-11,14H,4-9H2,1-3H3
InChIKeyPCKAOYLOJKRMQU-UHFFFAOYSA-N
XLogP1.77
TPSA54.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-methyl-3-[5-(1-propan-2-ylpyrrolidin-2-yl)-1,2,4-oxadiazol-3-yl]propan-1-amine
CID 115077926
2-[3-(1-propan-2-ylpiperidin-2-yl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 115081403
3-(1-propan-2-ylpyrrolidin-2-yl)-1,2,4-oxadiazol-5-amine
CID 115079719
2-[3-(1-ethylpyrrolidin-2-yl)-1,2,4-oxadiazol-5-yl]-N-methylethanamine
CID 115081381
2-[3-(1-propan-2-ylpiperidin-2-yl)-1,2,4-oxadiazol-5-yl]acetic acid
CID 115081799
1-[3-(1-propan-2-ylpiperidin-2-yl)-1,2,4-oxadiazol-5-yl]propan-2-one
CID 115080498
3-[3-(3,3-difluorocyclopentyl)-1,2,4-oxadiazol-5-yl]-N-methylpropan-1-amine
CID 114215234
N-methyl-2-[3-(1-propan-2-ylpiperidin-4-yl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 115081288
3-[3-(2-bicyclo[2.2.1]heptanyl)-1,2,4-oxadiazol-5-yl]-N-methylpropan-1-amine
CID 113383352
N-methyl-2-[3-(1-methylpiperidin-3-yl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 115081354
3-(1-propan-2-ylpyrrolidin-2-yl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole
CID 115080930
N-methyl-2-[3-(4-propan-2-ylcyclohexyl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 65422879

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-[3-(1-propan-2-ylpyrrolidin-2-yl)-1,2,4-oxadiazol-5-yl]propan-1-amine?
The IUPAC name of N-methyl-3-[3-(1-propan-2-ylpyrrolidin-2-yl)-1,2,4-oxadiazol-5-yl]propan-1-amine (CID 115081618) is N-methyl-3-[3-(1-propan-2-ylpyrrolidin-2-yl)-1,2,4-oxadiazol-5-yl]propan-1-amine.
What is the SMILES notation for N-methyl-3-[3-(1-propan-2-ylpyrrolidin-2-yl)-1,2,4-oxadiazol-5-yl]propan-1-amine?
The canonical SMILES for N-methyl-3-[3-(1-propan-2-ylpyrrolidin-2-yl)-1,2,4-oxadiazol-5-yl]propan-1-amine is CNCCCc1nc(C2CCCN2C(C)C)no1.
What is the InChIKey of N-methyl-3-[3-(1-propan-2-ylpyrrolidin-2-yl)-1,2,4-oxadiazol-5-yl]propan-1-amine?
The InChIKey is PCKAOYLOJKRMQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O/c1-10(2)17-9-5-6-11(17)13-15-12(18-16-13)7-4-8-14-3/h10-11,14H,4-9H2,1-3H3.
What are the key properties of N-methyl-3-[3-(1-propan-2-ylpyrrolidin-2-yl)-1,2,4-oxadiazol-5-yl]propan-1-amine?
N-methyl-3-[3-(1-propan-2-ylpyrrolidin-2-yl)-1,2,4-oxadiazol-5-yl]propan-1-amine has a molecular weight of 252.36 g/mol, XLogP of 1.77, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-[3-(1-propan-2-ylpyrrolidin-2-yl)-1,2,4-oxadiazol-5-yl]propan-1-amine is sourced from PubChem (CID 115081618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).