2-[methyl-[5-(propylaminomethyl)-1,3,4-oxadiazol-2-yl]amino]-N-propan-2-ylacetamide

C12H23N5O2 — CID 106959438

IUPAC2-[methyl-[5-(propylaminomethyl)-1,3,4-oxadiazol-2-yl]amino]-N-propan-2-ylacetamide
SMILESCCCNCc1nnc(N(C)CC(=O)NC(C)C)o1
InChIInChI=1S/C12H23N5O2/c1-5-6-13-7-11-15-16-12(19-11)17(4)8-10(18)14-9(2)3/h9,13H,5-8H2,1-4H3,(H,14,18)
InChIKeyFQPGQUNQFPGGSS-UHFFFAOYSA-N
MW269.35 g/mol
LogP0.53
Rot. Bonds8

About 2-[methyl-[5-(propylaminomethyl)-1,3,4-oxadiazol-2-yl]amino]-N-propan-2-ylacetamide

2-[methyl-[5-(propylaminomethyl)-1,3,4-oxadiazol-2-yl]amino]-N-propan-2-ylacetamide (PubChem CID 106959438) has the molecular formula C12H23N5O2 and a molecular weight of 269.35 g/mol. Its IUPAC name is 2-[methyl-[5-(propylaminomethyl)-1,3,4-oxadiazol-2-yl]amino]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[methyl-[5-(propylaminomethyl)-1,3,4-oxadiazol-2-yl]amino]-N-propan-2-ylacetamide
PubChem CID106959438
Molecular FormulaC12H23N5O2
Molecular Weight269.35 g/mol
Exact Mass269.19
IUPAC Name2-[methyl-[5-(propylaminomethyl)-1,3,4-oxadiazol-2-yl]amino]-N-propan-2-ylacetamide
SMILESCCCNCc1nnc(N(C)CC(=O)NC(C)C)o1
InChIInChI=1S/C12H23N5O2/c1-5-6-13-7-11-15-16-12(19-11)17(4)8-10(18)14-9(2)3/h9,13H,5-8H2,1-4H3,(H,14,18)
InChIKeyFQPGQUNQFPGGSS-UHFFFAOYSA-N
XLogP0.53
TPSA83.29 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 50.53
H-Bond Donors ≤ 52
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]-1-pyrrolidin-1-ylethanone
CID 106970217
N-(2,2-difluoroethyl)-N-methyl-5-(propylaminomethyl)-1,3,4-oxadiazol-2-amine
CID 106965364
2-[2-methylpropyl-[5-(propylaminomethyl)-1,3,4-oxadiazol-2-yl]amino]acetamide
CID 106970609
2-[[5-(1-aminoethyl)-1,3,4-oxadiazol-2-yl]-methylamino]-N-propan-2-ylacetamide
CID 106959440
2-[[5-[(tert-butylamino)methyl]-1,3,4-oxadiazol-2-yl]-ethylamino]-N-propan-2-ylacetamide
CID 106971169
3-[[5-(ethylaminomethyl)-1,3,4-oxadiazol-2-yl]-methylamino]-N-methylpropanamide
CID 106967463
N-methyl-N-(oxolan-2-ylmethyl)-5-(propylaminomethyl)-1,3,4-oxadiazol-2-amine
CID 106970695
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
N-methyl-2-[[5-[(propan-2-ylamino)methyl]-1,3,4-oxadiazol-2-yl]-propylamino]acetamide
CID 106971369

Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[5-(propylaminomethyl)-1,3,4-oxadiazol-2-yl]amino]-N-propan-2-ylacetamide?
The IUPAC name of 2-[methyl-[5-(propylaminomethyl)-1,3,4-oxadiazol-2-yl]amino]-N-propan-2-ylacetamide (CID 106959438) is 2-[methyl-[5-(propylaminomethyl)-1,3,4-oxadiazol-2-yl]amino]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[methyl-[5-(propylaminomethyl)-1,3,4-oxadiazol-2-yl]amino]-N-propan-2-ylacetamide?
The canonical SMILES for 2-[methyl-[5-(propylaminomethyl)-1,3,4-oxadiazol-2-yl]amino]-N-propan-2-ylacetamide is CCCNCc1nnc(N(C)CC(=O)NC(C)C)o1.
What is the InChIKey of 2-[methyl-[5-(propylaminomethyl)-1,3,4-oxadiazol-2-yl]amino]-N-propan-2-ylacetamide?
The InChIKey is FQPGQUNQFPGGSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N5O2/c1-5-6-13-7-11-15-16-12(19-11)17(4)8-10(18)14-9(2)3/h9,13H,5-8H2,1-4H3,(H,14,18).
What are the key properties of 2-[methyl-[5-(propylaminomethyl)-1,3,4-oxadiazol-2-yl]amino]-N-propan-2-ylacetamide?
2-[methyl-[5-(propylaminomethyl)-1,3,4-oxadiazol-2-yl]amino]-N-propan-2-ylacetamide has a molecular weight of 269.35 g/mol, XLogP of 0.53, 8 rotatable bonds, 2 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]-N-propan-2-ylacetamide is sourced from PubChem (CID 106959438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).