3-amino-1-[3-(3-methylcyclopentyl)-1,2,4-oxadiazol-5-yl]propan-1-ol

C11H19N3O2 — CID 107837020

IUPAC3-amino-1-[3-(3-methylcyclopentyl)-1,2,4-oxadiazol-5-yl]propan-1-ol
SMILESCC1CCC(c2noc(C(O)CCN)n2)C1
InChIInChI=1S/C11H19N3O2/c1-7-2-3-8(6-7)10-13-11(16-14-10)9(15)4-5-12/h7-9,15H,2-6,12H2,1H3
InChIKeyPPAURHVDJAMJBH-UHFFFAOYSA-N
MW225.29 g/mol
LogP1.36
Rot. Bonds4

About 3-amino-1-[3-(3-methylcyclopentyl)-1,2,4-oxadiazol-5-yl]propan-1-ol

3-amino-1-[3-(3-methylcyclopentyl)-1,2,4-oxadiazol-5-yl]propan-1-ol (PubChem CID 107837020) has the molecular formula C11H19N3O2 and a molecular weight of 225.29 g/mol. Its IUPAC name is 3-amino-1-[3-(3-methylcyclopentyl)-1,2,4-oxadiazol-5-yl]propan-1-ol.

Molecular Properties

Compound Name3-amino-1-[3-(3-methylcyclopentyl)-1,2,4-oxadiazol-5-yl]propan-1-ol
PubChem CID107837020
Molecular FormulaC11H19N3O2
Molecular Weight225.29 g/mol
Exact Mass225.15
IUPAC Name3-amino-1-[3-(3-methylcyclopentyl)-1,2,4-oxadiazol-5-yl]propan-1-ol
SMILESCC1CCC(c2noc(C(O)CCN)n2)C1
InChIInChI=1S/C11H19N3O2/c1-7-2-3-8(6-7)10-13-11(16-14-10)9(15)4-5-12/h7-9,15H,2-6,12H2,1H3
InChIKeyPPAURHVDJAMJBH-UHFFFAOYSA-N
XLogP1.36
TPSA85.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(1S)-3-amino-1-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)propan-1-ol
CID 107836745
(1S)-3-amino-1-[3-(4-ethylcyclohexyl)-1,2,4-oxadiazol-5-yl]propan-1-ol
CID 107837001
(1S)-2-amino-1-[3-(3-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]ethanol
CID 107836809
3-amino-1-[3-(4-ethylcyclohexyl)-1,2,4-oxadiazol-5-yl]propan-1-ol
CID 107837002
(1S,2R)-1-amino-1-[3-(3-methylcyclopentyl)-1,2,4-oxadiazol-5-yl]propan-2-ol
CID 104965498
1-[3-(3-methylcyclopentyl)-1,2,4-oxadiazol-5-yl]butan-1-amine
CID 65402444
3-[3-(3-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]butan-1-amine
CID 80540163
(1S)-3-amino-1-[3-(3,3-difluorocyclopentyl)-1,2,4-oxadiazol-5-yl]propan-1-ol
CID 114215243
1-[3-(3-methylcyclopentyl)-1,2,4-oxadiazol-5-yl]-3-methylsulfanylpropan-1-amine
CID 65402446
3-methyl-5-[3-(3-methylcyclopentyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine
CID 65402845
(1S)-1-[3-(4-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]ethanol
CID 66263723
3-methyl-1-[3-(3-methylcyclopentyl)-1,2,4-oxadiazol-5-yl]butan-2-ol
CID 65412841

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-[3-(3-methylcyclopentyl)-1,2,4-oxadiazol-5-yl]propan-1-ol?
The IUPAC name of 3-amino-1-[3-(3-methylcyclopentyl)-1,2,4-oxadiazol-5-yl]propan-1-ol (CID 107837020) is 3-amino-1-[3-(3-methylcyclopentyl)-1,2,4-oxadiazol-5-yl]propan-1-ol.
What is the SMILES notation for 3-amino-1-[3-(3-methylcyclopentyl)-1,2,4-oxadiazol-5-yl]propan-1-ol?
The canonical SMILES for 3-amino-1-[3-(3-methylcyclopentyl)-1,2,4-oxadiazol-5-yl]propan-1-ol is CC1CCC(c2noc(C(O)CCN)n2)C1.
What is the InChIKey of 3-amino-1-[3-(3-methylcyclopentyl)-1,2,4-oxadiazol-5-yl]propan-1-ol?
The InChIKey is PPAURHVDJAMJBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O2/c1-7-2-3-8(6-7)10-13-11(16-14-10)9(15)4-5-12/h7-9,15H,2-6,12H2,1H3.
What are the key properties of 3-amino-1-[3-(3-methylcyclopentyl)-1,2,4-oxadiazol-5-yl]propan-1-ol?
3-amino-1-[3-(3-methylcyclopentyl)-1,2,4-oxadiazol-5-yl]propan-1-ol has a molecular weight of 225.29 g/mol, XLogP of 1.36, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-[3-(3-methylcyclopentyl)-1,2,4-oxadiazol-5-yl]propan-1-ol is sourced from PubChem (CID 107837020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).