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

C12H20N4O2 — CID 106969066

IUPAC5-[(cyclopropylamino)methyl]-N-[1-(oxolan-2-yl)ethyl]-1,3,4-oxadiazol-2-amine
SMILESCC(Nc1nnc(CNC2CC2)o1)C1CCCO1
InChIInChI=1S/C12H20N4O2/c1-8(10-3-2-6-17-10)14-12-16-15-11(18-12)7-13-9-4-5-9/h8-10,13H,2-7H2,1H3,(H,14,16)
InChIKeyYCUSWTBMABHLOR-UHFFFAOYSA-N
MW252.32 g/mol
LogP1.30
Rot. Bonds6

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

5-[(cyclopropylamino)methyl]-N-[1-(oxolan-2-yl)ethyl]-1,3,4-oxadiazol-2-amine (PubChem CID 106969066) has the molecular formula C12H20N4O2 and a molecular weight of 252.32 g/mol. Its IUPAC name is 5-[(cyclopropylamino)methyl]-N-[1-(oxolan-2-yl)ethyl]-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound Name5-[(cyclopropylamino)methyl]-N-[1-(oxolan-2-yl)ethyl]-1,3,4-oxadiazol-2-amine
PubChem CID106969066
Molecular FormulaC12H20N4O2
Molecular Weight252.32 g/mol
Exact Mass252.16
IUPAC Name5-[(cyclopropylamino)methyl]-N-[1-(oxolan-2-yl)ethyl]-1,3,4-oxadiazol-2-amine
SMILESCC(Nc1nnc(CNC2CC2)o1)C1CCCO1
InChIInChI=1S/C12H20N4O2/c1-8(10-3-2-6-17-10)14-12-16-15-11(18-12)7-13-9-4-5-9/h8-10,13H,2-7H2,1H3,(H,14,16)
InChIKeyYCUSWTBMABHLOR-UHFFFAOYSA-N
XLogP1.30
TPSA72.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[[5-[(cyclopropylamino)methyl]-1,3,4-oxadiazol-2-yl]amino]propanamide
CID 106964115
5-[(cyclopropylamino)methyl]-N-(3,3-dimethylbutan-2-yl)-1,3,4-oxadiazol-2-amine
CID 106964848
5-[(cyclopropylamino)methyl]-N-hexan-3-yl-1,3,4-oxadiazol-2-amine
CID 106960442
5-[(cyclopropylamino)methyl]-N-(1-methylsulfanylbutan-2-yl)-1,3,4-oxadiazol-2-amine
CID 106965521
2-[[5-[(cyclopropylamino)methyl]-1,3,4-oxadiazol-2-yl]amino]-1-piperidin-1-ylpropan-1-one
CID 106964162
N-[[5-[2-(oxolan-2-yl)ethyl]-1,3,4-oxadiazol-2-yl]methyl]cyclopropanamine
CID 65159274
N-(1-cyclopentylethyl)-5-[(propan-2-ylamino)methyl]-1,3,4-oxadiazol-2-amine
CID 106961636
N-[1-(oxolan-2-yl)ethyl]-1,3,4-oxadiazol-2-amine
CID 130840823
2-[[5-[(cyclopropylamino)methyl]-1,3,4-oxadiazol-2-yl]amino]-1-morpholin-4-ylpropan-1-one
CID 106964127
N-cycloheptyl-5-[(cyclopropylamino)methyl]-1,3,4-oxadiazol-2-amine
CID 106968561
5-[(cyclopropylamino)methyl]-N-[1-(2-fluorophenyl)ethyl]-1,3,4-oxadiazol-2-amine
CID 106970352
2-[[5-[(cyclopropylamino)methyl]-1,3,4-oxadiazol-2-yl]amino]-N-ethyl-N-methylpropanamide
CID 106965766

Frequently Asked Questions

What is the IUPAC name of 5-[(cyclopropylamino)methyl]-N-[1-(oxolan-2-yl)ethyl]-1,3,4-oxadiazol-2-amine?
The IUPAC name of 5-[(cyclopropylamino)methyl]-N-[1-(oxolan-2-yl)ethyl]-1,3,4-oxadiazol-2-amine (CID 106969066) is 5-[(cyclopropylamino)methyl]-N-[1-(oxolan-2-yl)ethyl]-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for 5-[(cyclopropylamino)methyl]-N-[1-(oxolan-2-yl)ethyl]-1,3,4-oxadiazol-2-amine?
The canonical SMILES for 5-[(cyclopropylamino)methyl]-N-[1-(oxolan-2-yl)ethyl]-1,3,4-oxadiazol-2-amine is CC(Nc1nnc(CNC2CC2)o1)C1CCCO1.
What is the InChIKey of 5-[(cyclopropylamino)methyl]-N-[1-(oxolan-2-yl)ethyl]-1,3,4-oxadiazol-2-amine?
The InChIKey is YCUSWTBMABHLOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O2/c1-8(10-3-2-6-17-10)14-12-16-15-11(18-12)7-13-9-4-5-9/h8-10,13H,2-7H2,1H3,(H,14,16).
What are the key properties of 5-[(cyclopropylamino)methyl]-N-[1-(oxolan-2-yl)ethyl]-1,3,4-oxadiazol-2-amine?
5-[(cyclopropylamino)methyl]-N-[1-(oxolan-2-yl)ethyl]-1,3,4-oxadiazol-2-amine has a molecular weight of 252.32 g/mol, XLogP of 1.30, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(cyclopropylamino)methyl]-N-[1-(oxolan-2-yl)ethyl]-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 106969066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).