4-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl-methylamino]butan-2-ol

C11H19N3O2 — CID 111488398

IUPAC4-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl-methylamino]butan-2-ol
SMILESCC(O)CCN(C)Cc1nnc(C2CC2)o1
InChIInChI=1S/C11H19N3O2/c1-8(15)5-6-14(2)7-10-12-13-11(16-10)9-3-4-9/h8-9,15H,3-7H2,1-2H3
InChIKeyRWDLCIDTMKLWND-UHFFFAOYSA-N
MW225.29 g/mol
LogP1.15
Rot. Bonds6

About 4-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl-methylamino]butan-2-ol

4-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl-methylamino]butan-2-ol (PubChem CID 111488398) has the molecular formula C11H19N3O2 and a molecular weight of 225.29 g/mol. Its IUPAC name is 4-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl-methylamino]butan-2-ol.

Molecular Properties

Compound Name4-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl-methylamino]butan-2-ol
PubChem CID111488398
Molecular FormulaC11H19N3O2
Molecular Weight225.29 g/mol
Exact Mass225.15
IUPAC Name4-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl-methylamino]butan-2-ol
SMILESCC(O)CCN(C)Cc1nnc(C2CC2)o1
InChIInChI=1S/C11H19N3O2/c1-8(15)5-6-14(2)7-10-12-13-11(16-10)9-3-4-9/h8-9,15H,3-7H2,1-2H3
InChIKeyRWDLCIDTMKLWND-UHFFFAOYSA-N
XLogP1.15
TPSA62.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-N-methyl-2-(oxan-2-yl)ethanamine
CID 134710802
2-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl-methylamino]-N-(2-methylsulfanylphenyl)acetamide
CID 47073273
methyl 4-[5-[(dimethylamino)methyl]-1,3,4-oxadiazol-2-yl]cyclohexane-1-carboxylate
CID 66677787
4-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)methyl-methylamino]butan-2-ol
CID 111488526
N-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-N-methyl-1-(2-phenylphenyl)methanamine
CID 51107181
2-[(5-cyclobutyl-1,3,4-oxadiazol-2-yl)methyl-(2-hydroxyethyl)amino]ethanol
CID 111487823
3-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl-(2,2-dimethylpropyl)amino]propan-1-ol
CID 111107308
1-(5-cyclopentyl-1,3,4-oxadiazol-2-yl)propan-2-amine
CID 84666403
4-[cyclopropyl-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]amino]butan-1-ol
CID 111458836
N-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-N-ethylcyclopentanamine
CID 71937266
(1R)-N-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-N-methyl-2,3-dihydro-1H-inden-1-amine
CID 95582684
(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methanamine;hydrochloride
CID 75481650

Frequently Asked Questions

What is the IUPAC name of 4-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl-methylamino]butan-2-ol?
The IUPAC name of 4-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl-methylamino]butan-2-ol (CID 111488398) is 4-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl-methylamino]butan-2-ol.
What is the SMILES notation for 4-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl-methylamino]butan-2-ol?
The canonical SMILES for 4-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl-methylamino]butan-2-ol is CC(O)CCN(C)Cc1nnc(C2CC2)o1.
What is the InChIKey of 4-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl-methylamino]butan-2-ol?
The InChIKey is RWDLCIDTMKLWND-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O2/c1-8(15)5-6-14(2)7-10-12-13-11(16-10)9-3-4-9/h8-9,15H,3-7H2,1-2H3.
What are the key properties of 4-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl-methylamino]butan-2-ol?
4-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl-methylamino]butan-2-ol has a molecular weight of 225.29 g/mol, XLogP of 1.15, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl-methylamino]butan-2-ol is sourced from PubChem (CID 111488398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).