3-methyl-3-[[5-[1-(propylamino)ethyl]-1,3,4-oxadiazol-2-yl]amino]butanamide

C12H23N5O2 — CID 106098977

IUPAC3-methyl-3-[[5-[1-(propylamino)ethyl]-1,3,4-oxadiazol-2-yl]amino]butanamide
SMILESCCCNC(C)c1nnc(NC(C)(C)CC(N)=O)o1
InChIInChI=1S/C12H23N5O2/c1-5-6-14-8(2)10-16-17-11(19-10)15-12(3,4)7-9(13)18/h8,14H,5-7H2,1-4H3,(H2,13,18)(H,15,17)
InChIKeyMFKKCYBWVBTAAC-UHFFFAOYSA-N
MW269.35 g/mol
LogP1.20
Rot. Bonds8

About 3-methyl-3-[[5-[1-(propylamino)ethyl]-1,3,4-oxadiazol-2-yl]amino]butanamide

3-methyl-3-[[5-[1-(propylamino)ethyl]-1,3,4-oxadiazol-2-yl]amino]butanamide (PubChem CID 106098977) has the molecular formula C12H23N5O2 and a molecular weight of 269.35 g/mol. Its IUPAC name is 3-methyl-3-[[5-[1-(propylamino)ethyl]-1,3,4-oxadiazol-2-yl]amino]butanamide.

Molecular Properties

Compound Name3-methyl-3-[[5-[1-(propylamino)ethyl]-1,3,4-oxadiazol-2-yl]amino]butanamide
PubChem CID106098977
Molecular FormulaC12H23N5O2
Molecular Weight269.35 g/mol
Exact Mass269.19
IUPAC Name3-methyl-3-[[5-[1-(propylamino)ethyl]-1,3,4-oxadiazol-2-yl]amino]butanamide
SMILESCCCNC(C)c1nnc(NC(C)(C)CC(N)=O)o1
InChIInChI=1S/C12H23N5O2/c1-5-6-14-8(2)10-16-17-11(19-10)15-12(3,4)7-9(13)18/h8,14H,5-7H2,1-4H3,(H2,13,18)(H,15,17)
InChIKeyMFKKCYBWVBTAAC-UHFFFAOYSA-N
XLogP1.20
TPSA106.07 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 51.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

3-methyl-3-[[5-(propylaminomethyl)-1,3,4-oxadiazol-2-yl]amino]butanamide
CID 106098974
N-propyl-2-[[5-[1-(propylamino)ethyl]-1,3,4-oxadiazol-2-yl]amino]acetamide
CID 106969227
5-[1-(propylamino)ethyl]-N-(2,2,2-trifluoroethyl)-1,3,4-oxadiazol-2-amine
CID 106967102
5-[1-(propylamino)ethyl]-N-(2,3,3-trimethylbutyl)-1,3,4-oxadiazol-2-amine
CID 106964046
N-(2-methylsulfinylethyl)-5-[1-(propylamino)ethyl]-1,3,4-oxadiazol-2-amine
CID 106964952
2-[[5-[1-(ethylamino)ethyl]-1,3,4-oxadiazol-2-yl]amino]-N-propylpropanamide
CID 106959992
3-[[5-[1-(ethylamino)ethyl]-1,3,4-oxadiazol-2-yl]amino]-2,2-dimethylpropanamide
CID 114167811
N-methyl-2-[[5-[1-(propylamino)ethyl]-1,3,4-oxadiazol-2-yl]amino]ethanesulfonamide
CID 106332579
2-[[5-[1-(ethylamino)ethyl]-1,3,4-oxadiazol-2-yl]amino]ethyl carbamate
CID 106964003
N-[4-(2-methoxyethoxy)butyl]-5-[1-(propylamino)ethyl]-1,3,4-oxadiazol-2-amine
CID 106964938
N-[(4-ethylphenyl)methyl]-5-[1-(propylamino)ethyl]-1,3,4-oxadiazol-2-amine
CID 106967432
N-(cyclohexylmethyl)-5-[1-(propylamino)ethyl]-1,3,4-oxadiazol-2-amine
CID 106968919

Frequently Asked Questions

What is the IUPAC name of 3-methyl-3-[[5-[1-(propylamino)ethyl]-1,3,4-oxadiazol-2-yl]amino]butanamide?
The IUPAC name of 3-methyl-3-[[5-[1-(propylamino)ethyl]-1,3,4-oxadiazol-2-yl]amino]butanamide (CID 106098977) is 3-methyl-3-[[5-[1-(propylamino)ethyl]-1,3,4-oxadiazol-2-yl]amino]butanamide.
What is the SMILES notation for 3-methyl-3-[[5-[1-(propylamino)ethyl]-1,3,4-oxadiazol-2-yl]amino]butanamide?
The canonical SMILES for 3-methyl-3-[[5-[1-(propylamino)ethyl]-1,3,4-oxadiazol-2-yl]amino]butanamide is CCCNC(C)c1nnc(NC(C)(C)CC(N)=O)o1.
What is the InChIKey of 3-methyl-3-[[5-[1-(propylamino)ethyl]-1,3,4-oxadiazol-2-yl]amino]butanamide?
The InChIKey is MFKKCYBWVBTAAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N5O2/c1-5-6-14-8(2)10-16-17-11(19-10)15-12(3,4)7-9(13)18/h8,14H,5-7H2,1-4H3,(H2,13,18)(H,15,17).
What are the key properties of 3-methyl-3-[[5-[1-(propylamino)ethyl]-1,3,4-oxadiazol-2-yl]amino]butanamide?
3-methyl-3-[[5-[1-(propylamino)ethyl]-1,3,4-oxadiazol-2-yl]amino]butanamide has a molecular weight of 269.35 g/mol, XLogP of 1.20, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-3-[[5-[1-(propylamino)ethyl]-1,3,4-oxadiazol-2-yl]amino]butanamide is sourced from PubChem (CID 106098977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).