(1S)-2-amino-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)butan-1-ol

C9H15N3O2 — CID 68820972

IUPAC(1S)-2-amino-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)butan-1-ol
SMILESCCC(N)[C@H](O)c1nc(C2CC2)no1
InChIInChI=1S/C9H15N3O2/c1-2-6(10)7(13)9-11-8(12-14-9)5-3-4-5/h5-7,13H,2-4,10H2,1H3/t6?,7-/m0/s1
InChIKeyPRMXLQQEFUKYLE-MLWJPKLSSA-N
MW197.24 g/mol
LogP0.72
Rot. Bonds4

About (1S)-2-amino-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)butan-1-ol

(1S)-2-amino-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)butan-1-ol (PubChem CID 68820972) has the molecular formula C9H15N3O2 and a molecular weight of 197.24 g/mol. Its IUPAC name is (1S)-2-amino-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)butan-1-ol.

Molecular Properties

Compound Name(1S)-2-amino-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)butan-1-ol
PubChem CID68820972
Molecular FormulaC9H15N3O2
Molecular Weight197.24 g/mol
Exact Mass197.12
IUPAC Name(1S)-2-amino-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)butan-1-ol
SMILESCCC(N)[C@H](O)c1nc(C2CC2)no1
InChIInChI=1S/C9H15N3O2/c1-2-6(10)7(13)9-11-8(12-14-9)5-3-4-5/h5-7,13H,2-4,10H2,1H3/t6?,7-/m0/s1
InChIKeyPRMXLQQEFUKYLE-MLWJPKLSSA-N
XLogP0.72
TPSA85.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.24
LogP ≤ 50.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(1R)-1-[3-(4-propan-2-ylcyclohexyl)-1,2,4-oxadiazol-5-yl]propan-1-amine
CID 104915347
3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)butan-2-ol
CID 63346025
1-[3-(4-ethylcyclohexyl)-1,2,4-oxadiazol-5-yl]-2-methylbutan-1-amine
CID 65393257
1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-methoxyethanamine
CID 81077764
1-[3-(4-propylcyclohexyl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 65422874
3-amino-1-[3-(4-ethylcyclohexyl)-1,2,4-oxadiazol-5-yl]propan-1-ol
CID 107837002
(1S)-3-amino-1-[3-(4-ethylcyclohexyl)-1,2,4-oxadiazol-5-yl]propan-1-ol
CID 107837001
(1S)-1-[3-(4-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]ethanol
CID 66263723
(1S,2R)-1-amino-1-(3-cycloheptyl-1,2,4-oxadiazol-5-yl)propan-2-ol
CID 104965493
3-[3-(4-tert-butylcyclohexyl)-1,2,4-oxadiazol-5-yl]pentan-2-ol
CID 65415677
(1R)-1-(3-cyclobutyl-1,2,4-oxadiazol-5-yl)ethanamine
CID 104880933
(1S,2S)-1-[3-(4,4-dimethylcyclohexyl)-1,2,4-oxadiazol-5-yl]-2-methylbutan-1-amine
CID 104900157

Frequently Asked Questions

What is the IUPAC name of (1S)-2-amino-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)butan-1-ol?
The IUPAC name of (1S)-2-amino-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)butan-1-ol (CID 68820972) is (1S)-2-amino-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)butan-1-ol.
What is the SMILES notation for (1S)-2-amino-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)butan-1-ol?
The canonical SMILES for (1S)-2-amino-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)butan-1-ol is CCC(N)[C@H](O)c1nc(C2CC2)no1.
What is the InChIKey of (1S)-2-amino-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)butan-1-ol?
The InChIKey is PRMXLQQEFUKYLE-MLWJPKLSSA-N. The full InChI is InChI=1S/C9H15N3O2/c1-2-6(10)7(13)9-11-8(12-14-9)5-3-4-5/h5-7,13H,2-4,10H2,1H3/t6?,7-/m0/s1.
What are the key properties of (1S)-2-amino-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)butan-1-ol?
(1S)-2-amino-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)butan-1-ol has a molecular weight of 197.24 g/mol, XLogP of 0.72, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-2-amino-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)butan-1-ol is sourced from PubChem (CID 68820972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).