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

C11H18N4O2 — CID 106969378

IUPAC5-[(cyclopropylamino)methyl]-N-(oxan-4-yl)-1,3,4-oxadiazol-2-amine
SMILESC1CC(Nc2nnc(CNC3CC3)o2)CCO1
InChIInChI=1S/C11H18N4O2/c1-2-8(1)12-7-10-14-15-11(17-10)13-9-3-5-16-6-4-9/h8-9,12H,1-7H2,(H,13,15)
InChIKeyRXQLNPNRYSRHAV-UHFFFAOYSA-N
MW238.29 g/mol
LogP0.91
Rot. Bonds5

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

5-[(cyclopropylamino)methyl]-N-(oxan-4-yl)-1,3,4-oxadiazol-2-amine (PubChem CID 106969378) has the molecular formula C11H18N4O2 and a molecular weight of 238.29 g/mol. Its IUPAC name is 5-[(cyclopropylamino)methyl]-N-(oxan-4-yl)-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound Name5-[(cyclopropylamino)methyl]-N-(oxan-4-yl)-1,3,4-oxadiazol-2-amine
PubChem CID106969378
Molecular FormulaC11H18N4O2
Molecular Weight238.29 g/mol
Exact Mass238.14
IUPAC Name5-[(cyclopropylamino)methyl]-N-(oxan-4-yl)-1,3,4-oxadiazol-2-amine
SMILESC1CC(Nc2nnc(CNC3CC3)o2)CCO1
InChIInChI=1S/C11H18N4O2/c1-2-8(1)12-7-10-14-15-11(17-10)13-9-3-5-16-6-4-9/h8-9,12H,1-7H2,(H,13,15)
InChIKeyRXQLNPNRYSRHAV-UHFFFAOYSA-N
XLogP0.91
TPSA72.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-cycloheptyl-5-[(cyclopropylamino)methyl]-1,3,4-oxadiazol-2-amine
CID 106968561
5-[(cyclopropylamino)methyl]-N-(3,5-dimethylcyclohexyl)-1,3,4-oxadiazol-2-amine
CID 106962278
5-[(cyclopropylamino)methyl]-N-(3,4-dimethylcyclohexyl)-1,3,4-oxadiazol-2-amine
CID 106962068
5-[(cyclopropylamino)methyl]-N-(1,1-dioxothian-3-yl)-1,3,4-oxadiazol-2-amine
CID 106961478
5-[(cyclopropylamino)methyl]-N-(2,3-dimethylcyclohexyl)-1,3,4-oxadiazol-2-amine
CID 106967918
5-[(cyclopropylamino)methyl]-N-(3,3-dimethylbutan-2-yl)-1,3,4-oxadiazol-2-amine
CID 106964848
N-(1-adamantyl)-5-[(cyclopropylamino)methyl]-1,3,4-oxadiazol-2-amine
CID 106966105
2-[[5-[(cyclopropylamino)methyl]-1,3,4-oxadiazol-2-yl]amino]-1-morpholin-4-ylpropan-1-one
CID 106964127
N-(4-bromo-2,6-dichlorophenyl)-5-[(cyclopropylamino)methyl]-1,3,4-oxadiazol-2-amine
CID 106966987
5-[(cyclopropylamino)methyl]-N-(5-methoxypentyl)-1,3,4-oxadiazol-2-amine
CID 114131451
5-[(cyclopropylamino)methyl]-N-(3-methylsulfanylbutyl)-1,3,4-oxadiazol-2-amine
CID 106965113
5-[(cyclopropylamino)methyl]-N-(5-methylsulfanylpentyl)-1,3,4-oxadiazol-2-amine
CID 114129282

Frequently Asked Questions

What is the IUPAC name of 5-[(cyclopropylamino)methyl]-N-(oxan-4-yl)-1,3,4-oxadiazol-2-amine?
The IUPAC name of 5-[(cyclopropylamino)methyl]-N-(oxan-4-yl)-1,3,4-oxadiazol-2-amine (CID 106969378) is 5-[(cyclopropylamino)methyl]-N-(oxan-4-yl)-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for 5-[(cyclopropylamino)methyl]-N-(oxan-4-yl)-1,3,4-oxadiazol-2-amine?
The canonical SMILES for 5-[(cyclopropylamino)methyl]-N-(oxan-4-yl)-1,3,4-oxadiazol-2-amine is C1CC(Nc2nnc(CNC3CC3)o2)CCO1.
What is the InChIKey of 5-[(cyclopropylamino)methyl]-N-(oxan-4-yl)-1,3,4-oxadiazol-2-amine?
The InChIKey is RXQLNPNRYSRHAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O2/c1-2-8(1)12-7-10-14-15-11(17-10)13-9-3-5-16-6-4-9/h8-9,12H,1-7H2,(H,13,15).
What are the key properties of 5-[(cyclopropylamino)methyl]-N-(oxan-4-yl)-1,3,4-oxadiazol-2-amine?
5-[(cyclopropylamino)methyl]-N-(oxan-4-yl)-1,3,4-oxadiazol-2-amine has a molecular weight of 238.29 g/mol, XLogP of 0.91, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(cyclopropylamino)methyl]-N-(oxan-4-yl)-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 106969378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).