5-ethyl-N-methyl-N-[(3S)-3-pyrrolidin-1-ylbutyl]-1,2,4-oxadiazol-3-amine

C13H24N4O — CID 164638654

IUPAC5-ethyl-N-methyl-N-[(3S)-3-pyrrolidin-1-ylbutyl]-1,2,4-oxadiazol-3-amine
SMILESCCc1nc(N(C)CC[C@H](C)N2CCCC2)no1
InChIInChI=1S/C13H24N4O/c1-4-12-14-13(15-18-12)16(3)10-7-11(2)17-8-5-6-9-17/h11H,4-10H2,1-3H3/t11-/m0/s1
InChIKeySFSLIRGDROOWAA-NSHDSACASA-N
MW252.36 g/mol
LogP1.94
Rot. Bonds6

About 5-ethyl-N-methyl-N-[(3S)-3-pyrrolidin-1-ylbutyl]-1,2,4-oxadiazol-3-amine

5-ethyl-N-methyl-N-[(3S)-3-pyrrolidin-1-ylbutyl]-1,2,4-oxadiazol-3-amine (PubChem CID 164638654) has the molecular formula C13H24N4O and a molecular weight of 252.36 g/mol. Its IUPAC name is 5-ethyl-N-methyl-N-[(3S)-3-pyrrolidin-1-ylbutyl]-1,2,4-oxadiazol-3-amine.

Molecular Properties

Compound Name5-ethyl-N-methyl-N-[(3S)-3-pyrrolidin-1-ylbutyl]-1,2,4-oxadiazol-3-amine
PubChem CID164638654
Molecular FormulaC13H24N4O
Molecular Weight252.36 g/mol
Exact Mass252.20
IUPAC Name5-ethyl-N-methyl-N-[(3S)-3-pyrrolidin-1-ylbutyl]-1,2,4-oxadiazol-3-amine
SMILESCCc1nc(N(C)CC[C@H](C)N2CCCC2)no1
InChIInChI=1S/C13H24N4O/c1-4-12-14-13(15-18-12)16(3)10-7-11(2)17-8-5-6-9-17/h11H,4-10H2,1-3H3/t11-/m0/s1
InChIKeySFSLIRGDROOWAA-NSHDSACASA-N
XLogP1.94
TPSA45.40 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-N-methyl-N-[(3S)-3-pyrrolidin-1-ylbutyl]-1,2,4-oxadiazol-3-amine?
The IUPAC name of 5-ethyl-N-methyl-N-[(3S)-3-pyrrolidin-1-ylbutyl]-1,2,4-oxadiazol-3-amine (CID 164638654) is 5-ethyl-N-methyl-N-[(3S)-3-pyrrolidin-1-ylbutyl]-1,2,4-oxadiazol-3-amine.
What is the SMILES notation for 5-ethyl-N-methyl-N-[(3S)-3-pyrrolidin-1-ylbutyl]-1,2,4-oxadiazol-3-amine?
The canonical SMILES for 5-ethyl-N-methyl-N-[(3S)-3-pyrrolidin-1-ylbutyl]-1,2,4-oxadiazol-3-amine is CCc1nc(N(C)CC[C@H](C)N2CCCC2)no1.
What is the InChIKey of 5-ethyl-N-methyl-N-[(3S)-3-pyrrolidin-1-ylbutyl]-1,2,4-oxadiazol-3-amine?
The InChIKey is SFSLIRGDROOWAA-NSHDSACASA-N. The full InChI is InChI=1S/C13H24N4O/c1-4-12-14-13(15-18-12)16(3)10-7-11(2)17-8-5-6-9-17/h11H,4-10H2,1-3H3/t11-/m0/s1.
What are the key properties of 5-ethyl-N-methyl-N-[(3S)-3-pyrrolidin-1-ylbutyl]-1,2,4-oxadiazol-3-amine?
5-ethyl-N-methyl-N-[(3S)-3-pyrrolidin-1-ylbutyl]-1,2,4-oxadiazol-3-amine has a molecular weight of 252.36 g/mol, XLogP of 1.94, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-N-methyl-N-[(3S)-3-pyrrolidin-1-ylbutyl]-1,2,4-oxadiazol-3-amine is sourced from PubChem (CID 164638654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).