(1S)-1-[3-(2-methylcyclopropyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine

C11H19N3O — CID 107145004

IUPAC(1S)-1-[3-(2-methylcyclopropyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine
SMILESCCCC[C@H](N)c1nc(C2CC2C)no1
InChIInChI=1S/C11H19N3O/c1-3-4-5-9(12)11-13-10(14-15-11)8-6-7(8)2/h7-9H,3-6,12H2,1-2H3/t7?,8?,9-/m0/s1
InChIKeyJVPPVRPGWGFKSK-HACHORDNSA-N
MW209.29 g/mol
LogP2.38
Rot. Bonds5

About (1S)-1-[3-(2-methylcyclopropyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine

(1S)-1-[3-(2-methylcyclopropyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine (PubChem CID 107145004) has the molecular formula C11H19N3O and a molecular weight of 209.29 g/mol. Its IUPAC name is (1S)-1-[3-(2-methylcyclopropyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine.

Molecular Properties

Compound Name(1S)-1-[3-(2-methylcyclopropyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine
PubChem CID107145004
Molecular FormulaC11H19N3O
Molecular Weight209.29 g/mol
Exact Mass209.15
IUPAC Name(1S)-1-[3-(2-methylcyclopropyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine
SMILESCCCC[C@H](N)c1nc(C2CC2C)no1
InChIInChI=1S/C11H19N3O/c1-3-4-5-9(12)11-13-10(14-15-11)8-6-7(8)2/h7-9H,3-6,12H2,1-2H3/t7?,8?,9-/m0/s1
InChIKeyJVPPVRPGWGFKSK-HACHORDNSA-N
XLogP2.38
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-(2,2-dimethylcyclopropyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine
CID 104880772
1-[3-(4-ethylcyclohexyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine
CID 65395345
(1S)-1-[3-(4-ethylcyclohexyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine
CID 107144988
(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)pentan-1-amine
CID 93057386
1-[3-(3-methylcyclopentyl)-1,2,4-oxadiazol-5-yl]butan-1-amine
CID 65402444
1-(3-propyl-1,2,4-oxadiazol-5-yl)pentan-1-amine
CID 43670431
1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pentan-1-amine
CID 43470394
3-[3-(2-methylcyclopropyl)-1,2,4-oxadiazol-5-yl]butan-1-amine
CID 80539976
(1S)-1-[3-(4-propan-2-ylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]pentan-1-amine
CID 107145038
(1S)-1-[3-(1,2,3,4-tetrahydronaphthalen-2-yl)-1,2,4-oxadiazol-5-yl]pentan-1-amine
CID 107145003
1-[3-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-1,2,4-oxadiazol-5-yl]pentan-1-amine
CID 79077164
1-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine
CID 82008553

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[3-(2-methylcyclopropyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine?
The IUPAC name of (1S)-1-[3-(2-methylcyclopropyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine (CID 107145004) is (1S)-1-[3-(2-methylcyclopropyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine.
What is the SMILES notation for (1S)-1-[3-(2-methylcyclopropyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine?
The canonical SMILES for (1S)-1-[3-(2-methylcyclopropyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine is CCCC[C@H](N)c1nc(C2CC2C)no1.
What is the InChIKey of (1S)-1-[3-(2-methylcyclopropyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine?
The InChIKey is JVPPVRPGWGFKSK-HACHORDNSA-N. The full InChI is InChI=1S/C11H19N3O/c1-3-4-5-9(12)11-13-10(14-15-11)8-6-7(8)2/h7-9H,3-6,12H2,1-2H3/t7?,8?,9-/m0/s1.
What are the key properties of (1S)-1-[3-(2-methylcyclopropyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine?
(1S)-1-[3-(2-methylcyclopropyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine has a molecular weight of 209.29 g/mol, XLogP of 2.38, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[3-(2-methylcyclopropyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine is sourced from PubChem (CID 107145004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).