2-[[5-[(cyclopropylamino)methyl]-1,3,4-oxadiazol-2-yl]amino]-N-ethyl-N-methylpropanamide

C12H21N5O2 — CID 106965766

IUPAC2-[[5-[(cyclopropylamino)methyl]-1,3,4-oxadiazol-2-yl]amino]-N-ethyl-N-methylpropanamide
SMILESCCN(C)C(=O)C(C)Nc1nnc(CNC2CC2)o1
InChIInChI=1S/C12H21N5O2/c1-4-17(3)11(18)8(2)14-12-16-15-10(19-12)7-13-9-5-6-9/h8-9,13H,4-7H2,1-3H3,(H,14,16)
InChIKeyGZTBAOUKXMZKLI-UHFFFAOYSA-N
MW267.33 g/mol
LogP0.60
Rot. Bonds7

About 2-[[5-[(cyclopropylamino)methyl]-1,3,4-oxadiazol-2-yl]amino]-N-ethyl-N-methylpropanamide

2-[[5-[(cyclopropylamino)methyl]-1,3,4-oxadiazol-2-yl]amino]-N-ethyl-N-methylpropanamide (PubChem CID 106965766) has the molecular formula C12H21N5O2 and a molecular weight of 267.33 g/mol. Its IUPAC name is 2-[[5-[(cyclopropylamino)methyl]-1,3,4-oxadiazol-2-yl]amino]-N-ethyl-N-methylpropanamide.

Molecular Properties

Compound Name2-[[5-[(cyclopropylamino)methyl]-1,3,4-oxadiazol-2-yl]amino]-N-ethyl-N-methylpropanamide
PubChem CID106965766
Molecular FormulaC12H21N5O2
Molecular Weight267.33 g/mol
Exact Mass267.17
IUPAC Name2-[[5-[(cyclopropylamino)methyl]-1,3,4-oxadiazol-2-yl]amino]-N-ethyl-N-methylpropanamide
SMILESCCN(C)C(=O)C(C)Nc1nnc(CNC2CC2)o1
InChIInChI=1S/C12H21N5O2/c1-4-17(3)11(18)8(2)14-12-16-15-10(19-12)7-13-9-5-6-9/h8-9,13H,4-7H2,1-3H3,(H,14,16)
InChIKeyGZTBAOUKXMZKLI-UHFFFAOYSA-N
XLogP0.60
TPSA83.29 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 50.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

Acetamide, 2-(dipropylamino)-N-(5-methyl-1,3,4-oxadiazol-2-yl)-
CID 3073228
Acetamide, 2-(dipropylamino)-N-(5-ethyl-1,3,4-oxadiazol-2-yl)-
CID 3073229
N-[2-(2,2-difluoroethoxy)ethyl]-5-[1-(ethylamino)ethyl]-1,3,4-oxadiazol-2-amine
CID 105923846
N-[2-(2,2-difluoroethoxy)ethyl]-5-[1-(propylamino)ethyl]-1,3,4-oxadiazol-2-amine
CID 105923850
N-[2-(2,2-difluoroethoxy)ethyl]-5-(propylaminomethyl)-1,3,4-oxadiazol-2-amine
CID 105923856
N-[2-(2,2-difluoroethoxy)ethyl]-5-[1-(methylamino)ethyl]-1,3,4-oxadiazol-2-amine
CID 105923861
5-[(2-methoxyethylamino)methyl]-N-(4,4,4-trifluorobutan-2-yl)-1,3,4-oxadiazol-2-amine
CID 105942432
5-[(tert-butylamino)methyl]-N-(4,4,4-trifluorobutan-2-yl)-1,3,4-oxadiazol-2-amine
CID 105942433
5-[1-(ethylamino)ethyl]-N-(4,4,4-trifluorobutan-2-yl)-1,3,4-oxadiazol-2-amine
CID 105942435
5-[1-(methylamino)ethyl]-N-(4,4,4-trifluorobutan-2-yl)-1,3,4-oxadiazol-2-amine
CID 105942436
5-(propylaminomethyl)-N-(4,4,4-trifluorobutan-2-yl)-1,3,4-oxadiazol-2-amine
CID 105942437
5-[(2-methylpropylamino)methyl]-N-(4,4,4-trifluorobutan-2-yl)-1,3,4-oxadiazol-2-amine
CID 105942438

Frequently Asked Questions

What is the IUPAC name of 2-[[5-[(cyclopropylamino)methyl]-1,3,4-oxadiazol-2-yl]amino]-N-ethyl-N-methylpropanamide?
The IUPAC name of 2-[[5-[(cyclopropylamino)methyl]-1,3,4-oxadiazol-2-yl]amino]-N-ethyl-N-methylpropanamide (CID 106965766) is 2-[[5-[(cyclopropylamino)methyl]-1,3,4-oxadiazol-2-yl]amino]-N-ethyl-N-methylpropanamide.
What is the SMILES notation for 2-[[5-[(cyclopropylamino)methyl]-1,3,4-oxadiazol-2-yl]amino]-N-ethyl-N-methylpropanamide?
The canonical SMILES for 2-[[5-[(cyclopropylamino)methyl]-1,3,4-oxadiazol-2-yl]amino]-N-ethyl-N-methylpropanamide is CCN(C)C(=O)C(C)Nc1nnc(CNC2CC2)o1.
What is the InChIKey of 2-[[5-[(cyclopropylamino)methyl]-1,3,4-oxadiazol-2-yl]amino]-N-ethyl-N-methylpropanamide?
The InChIKey is GZTBAOUKXMZKLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5O2/c1-4-17(3)11(18)8(2)14-12-16-15-10(19-12)7-13-9-5-6-9/h8-9,13H,4-7H2,1-3H3,(H,14,16).
What are the key properties of 2-[[5-[(cyclopropylamino)methyl]-1,3,4-oxadiazol-2-yl]amino]-N-ethyl-N-methylpropanamide?
2-[[5-[(cyclopropylamino)methyl]-1,3,4-oxadiazol-2-yl]amino]-N-ethyl-N-methylpropanamide has a molecular weight of 267.33 g/mol, XLogP of 0.60, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-[(cyclopropylamino)methyl]-1,3,4-oxadiazol-2-yl]amino]-N-ethyl-N-methylpropanamide is sourced from PubChem (CID 106965766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).