2-[methyl-[5-(propylaminomethyl)-1,3,4-oxadiazol-2-yl]amino]-1-pyrrolidin-1-ylethanone

C13H23N5O2 — CID 106970217

IUPAC2-[methyl-[5-(propylaminomethyl)-1,3,4-oxadiazol-2-yl]amino]-1-pyrrolidin-1-ylethanone
SMILESCCCNCc1nnc(N(C)CC(=O)N2CCCC2)o1
InChIInChI=1S/C13H23N5O2/c1-3-6-14-9-11-15-16-13(20-11)17(2)10-12(19)18-7-4-5-8-18/h14H,3-10H2,1-2H3
InChIKeyLHJKBRDBYZSIDO-UHFFFAOYSA-N
MW281.36 g/mol
LogP0.63
Rot. Bonds7

About 2-[methyl-[5-(propylaminomethyl)-1,3,4-oxadiazol-2-yl]amino]-1-pyrrolidin-1-ylethanone

2-[methyl-[5-(propylaminomethyl)-1,3,4-oxadiazol-2-yl]amino]-1-pyrrolidin-1-ylethanone (PubChem CID 106970217) has the molecular formula C13H23N5O2 and a molecular weight of 281.36 g/mol. Its IUPAC name is 2-[methyl-[5-(propylaminomethyl)-1,3,4-oxadiazol-2-yl]amino]-1-pyrrolidin-1-ylethanone.

Molecular Properties

Compound Name2-[methyl-[5-(propylaminomethyl)-1,3,4-oxadiazol-2-yl]amino]-1-pyrrolidin-1-ylethanone
PubChem CID106970217
Molecular FormulaC13H23N5O2
Molecular Weight281.36 g/mol
Exact Mass281.19
IUPAC Name2-[methyl-[5-(propylaminomethyl)-1,3,4-oxadiazol-2-yl]amino]-1-pyrrolidin-1-ylethanone
SMILESCCCNCc1nnc(N(C)CC(=O)N2CCCC2)o1
InChIInChI=1S/C13H23N5O2/c1-3-6-14-9-11-15-16-13(20-11)17(2)10-12(19)18-7-4-5-8-18/h14H,3-10H2,1-2H3
InChIKeyLHJKBRDBYZSIDO-UHFFFAOYSA-N
XLogP0.63
TPSA74.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-[methyl-[5-(propylaminomethyl)-1,3,4-oxadiazol-2-yl]amino]-N-propan-2-ylacetamide
CID 106959438
N-(2,2-difluoroethyl)-N-methyl-5-(propylaminomethyl)-1,3,4-oxadiazol-2-amine
CID 106965364
N-methyl-N-(oxolan-2-ylmethyl)-5-(propylaminomethyl)-1,3,4-oxadiazol-2-amine
CID 106970695
2-[2-methylpropyl-[5-(propylaminomethyl)-1,3,4-oxadiazol-2-yl]amino]acetamide
CID 106970609
N-butyl-5-(ethylaminomethyl)-N-methyl-1,3,4-oxadiazol-2-amine
CID 106966149
N-[(4-chlorophenyl)methyl]-N-methyl-5-(propylaminomethyl)-1,3,4-oxadiazol-2-amine
CID 106959812
2-[propyl-[5-(propylaminomethyl)-1,3,4-oxadiazol-2-yl]amino]ethanol
CID 106970585
N-methyl-N-(oxan-4-yl)-5-(propylaminomethyl)-1,3,4-oxadiazol-2-amine
CID 106969389
3-[[5-(ethylaminomethyl)-1,3,4-oxadiazol-2-yl]-methylamino]-N-methylpropanamide
CID 106967463
2-[methyl-[6-(propylamino)pyrimidin-4-yl]amino]-1-pyrrolidin-1-ylethanone
CID 80799613
2-[methyl-[[5-(propylamino)-1,3,4-thiadiazol-2-yl]methyl]amino]-1-pyrrolidin-1-ylethanone
CID 80606899
1-[5-(propylaminomethyl)-1,3,4-oxadiazol-2-yl]piperidin-3-ol
CID 106959475

Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[5-(propylaminomethyl)-1,3,4-oxadiazol-2-yl]amino]-1-pyrrolidin-1-ylethanone?
The IUPAC name of 2-[methyl-[5-(propylaminomethyl)-1,3,4-oxadiazol-2-yl]amino]-1-pyrrolidin-1-ylethanone (CID 106970217) is 2-[methyl-[5-(propylaminomethyl)-1,3,4-oxadiazol-2-yl]amino]-1-pyrrolidin-1-ylethanone.
What is the SMILES notation for 2-[methyl-[5-(propylaminomethyl)-1,3,4-oxadiazol-2-yl]amino]-1-pyrrolidin-1-ylethanone?
The canonical SMILES for 2-[methyl-[5-(propylaminomethyl)-1,3,4-oxadiazol-2-yl]amino]-1-pyrrolidin-1-ylethanone is CCCNCc1nnc(N(C)CC(=O)N2CCCC2)o1.
What is the InChIKey of 2-[methyl-[5-(propylaminomethyl)-1,3,4-oxadiazol-2-yl]amino]-1-pyrrolidin-1-ylethanone?
The InChIKey is LHJKBRDBYZSIDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N5O2/c1-3-6-14-9-11-15-16-13(20-11)17(2)10-12(19)18-7-4-5-8-18/h14H,3-10H2,1-2H3.
What are the key properties of 2-[methyl-[5-(propylaminomethyl)-1,3,4-oxadiazol-2-yl]amino]-1-pyrrolidin-1-ylethanone?
2-[methyl-[5-(propylaminomethyl)-1,3,4-oxadiazol-2-yl]amino]-1-pyrrolidin-1-ylethanone has a molecular weight of 281.36 g/mol, XLogP of 0.63, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-[5-(propylaminomethyl)-1,3,4-oxadiazol-2-yl]amino]-1-pyrrolidin-1-ylethanone is sourced from PubChem (CID 106970217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).