N-[[5-(3-methyloxan-4-yl)-1,3,4-oxadiazol-2-yl]methyl]cyclopropanamine

C12H19N3O2 — CID 114241670

IUPACN-[[5-(3-methyloxan-4-yl)-1,3,4-oxadiazol-2-yl]methyl]cyclopropanamine
SMILESCC1COCCC1c1nnc(CNC2CC2)o1
InChIInChI=1S/C12H19N3O2/c1-8-7-16-5-4-10(8)12-15-14-11(17-12)6-13-9-2-3-9/h8-10,13H,2-7H2,1H3
InChIKeyJJPOLHGIZPXBSF-UHFFFAOYSA-N
MW237.30 g/mol
LogP1.46
Rot. Bonds4

About N-[[5-(3-methyloxan-4-yl)-1,3,4-oxadiazol-2-yl]methyl]cyclopropanamine

N-[[5-(3-methyloxan-4-yl)-1,3,4-oxadiazol-2-yl]methyl]cyclopropanamine (PubChem CID 114241670) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is N-[[5-(3-methyloxan-4-yl)-1,3,4-oxadiazol-2-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[5-(3-methyloxan-4-yl)-1,3,4-oxadiazol-2-yl]methyl]cyclopropanamine
PubChem CID114241670
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC NameN-[[5-(3-methyloxan-4-yl)-1,3,4-oxadiazol-2-yl]methyl]cyclopropanamine
SMILESCC1COCCC1c1nnc(CNC2CC2)o1
InChIInChI=1S/C12H19N3O2/c1-8-7-16-5-4-10(8)12-15-14-11(17-12)6-13-9-2-3-9/h8-10,13H,2-7H2,1H3
InChIKeyJJPOLHGIZPXBSF-UHFFFAOYSA-N
XLogP1.46
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[5-(3-methyloxan-4-yl)-1,3-oxazol-2-yl]methyl]cyclopropanamine
CID 114241788
N-[2-[5-(3-methyloxan-4-yl)-1,3,4-oxadiazol-2-yl]ethyl]propan-2-amine
CID 114241677
N-[[5-(2-bicyclo[2.2.1]heptanyl)-1,3,4-oxadiazol-2-yl]methyl]cyclopropanamine
CID 55039643
5-[(cyclopropylamino)methyl]-N-(oxan-4-yl)-1,3,4-oxadiazol-2-amine
CID 106969378
N-[[5-(2-methylcyclopentyl)-1,3,4-oxadiazol-2-yl]methyl]propan-2-amine
CID 107183179
5-[(cyclopropylamino)methyl]-N,N-dimethyl-1,3,4-oxadiazol-2-amine
CID 82468411
5-[(cyclopropylamino)methyl]-N-(2,3-dimethylcyclohexyl)-1,3,4-oxadiazol-2-amine
CID 106967918
N-cyclopropyl-5-[(cyclopropylamino)methyl]-N-methyl-1,3,4-oxadiazol-2-amine
CID 106968644
5-[(cyclopropylamino)methyl]-N-(3,4-dimethylcyclohexyl)-1,3,4-oxadiazol-2-amine
CID 106962068
N-[[5-(2,3,5-trimethylpiperidin-1-yl)-1,3,4-oxadiazol-2-yl]methyl]cyclopropanamine
CID 106965446
5-[(cyclopropylamino)methyl]-N-(3,5-dimethylcyclohexyl)-1,3,4-oxadiazol-2-amine
CID 106962278
N-[[5-(2,4,5-trimethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]methyl]cyclopropanamine
CID 65152251

Frequently Asked Questions

What is the IUPAC name of N-[[5-(3-methyloxan-4-yl)-1,3,4-oxadiazol-2-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[5-(3-methyloxan-4-yl)-1,3,4-oxadiazol-2-yl]methyl]cyclopropanamine (CID 114241670) is N-[[5-(3-methyloxan-4-yl)-1,3,4-oxadiazol-2-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[5-(3-methyloxan-4-yl)-1,3,4-oxadiazol-2-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[5-(3-methyloxan-4-yl)-1,3,4-oxadiazol-2-yl]methyl]cyclopropanamine is CC1COCCC1c1nnc(CNC2CC2)o1.
What is the InChIKey of N-[[5-(3-methyloxan-4-yl)-1,3,4-oxadiazol-2-yl]methyl]cyclopropanamine?
The InChIKey is JJPOLHGIZPXBSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2/c1-8-7-16-5-4-10(8)12-15-14-11(17-12)6-13-9-2-3-9/h8-10,13H,2-7H2,1H3.
What are the key properties of N-[[5-(3-methyloxan-4-yl)-1,3,4-oxadiazol-2-yl]methyl]cyclopropanamine?
N-[[5-(3-methyloxan-4-yl)-1,3,4-oxadiazol-2-yl]methyl]cyclopropanamine has a molecular weight of 237.30 g/mol, XLogP of 1.46, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(3-methyloxan-4-yl)-1,3,4-oxadiazol-2-yl]methyl]cyclopropanamine is sourced from PubChem (CID 114241670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).