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

C16H21N3O2 — CID 107836886

IUPAC(1S)-3-amino-1-[3-(1-phenylcyclopentyl)-1,2,4-oxadiazol-5-yl]propan-1-ol
SMILESNCC[C@H](O)c1nc(C2(c3ccccc3)CCCC2)no1
InChIInChI=1S/C16H21N3O2/c17-11-8-13(20)14-18-15(19-21-14)16(9-4-5-10-16)12-6-2-1-3-7-12/h1-3,6-7,13,20H,4-5,8-11,17H2/t13-/m0/s1
InChIKeyMKCYYNVXQHHKDK-ZDUSSCGKSA-N
MW287.36 g/mol
LogP2.31
Rot. Bonds5

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

(1S)-3-amino-1-[3-(1-phenylcyclopentyl)-1,2,4-oxadiazol-5-yl]propan-1-ol (PubChem CID 107836886) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is (1S)-3-amino-1-[3-(1-phenylcyclopentyl)-1,2,4-oxadiazol-5-yl]propan-1-ol.

Molecular Properties

Compound Name(1S)-3-amino-1-[3-(1-phenylcyclopentyl)-1,2,4-oxadiazol-5-yl]propan-1-ol
PubChem CID107836886
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC Name(1S)-3-amino-1-[3-(1-phenylcyclopentyl)-1,2,4-oxadiazol-5-yl]propan-1-ol
SMILESNCC[C@H](O)c1nc(C2(c3ccccc3)CCCC2)no1
InChIInChI=1S/C16H21N3O2/c17-11-8-13(20)14-18-15(19-21-14)16(9-4-5-10-16)12-6-2-1-3-7-12/h1-3,6-7,13,20H,4-5,8-11,17H2/t13-/m0/s1
InChIKeyMKCYYNVXQHHKDK-ZDUSSCGKSA-N
XLogP2.31
TPSA85.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (1S)-3-amino-1-[3-(1-phenylcyclopentyl)-1,2,4-oxadiazol-5-yl]propan-1-ol with MolForge

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Related Compounds

(1S)-3-amino-1-[3-(1-phenylcyclobutyl)-1,2,4-oxadiazol-5-yl]propan-1-ol
CID 107836883
2-amino-1-[3-(1-phenylcyclobutyl)-1,2,4-oxadiazol-5-yl]ethanol
CID 66166712
1-[3-(1-phenylcyclopentyl)-1,2,4-oxadiazol-5-yl]ethanol
CID 63349809
(2R)-2-amino-2-[3-(1-phenylcyclopentyl)-1,2,4-oxadiazol-5-yl]ethanol
CID 104915702
(1S)-1-[3-(1-phenylcyclopentyl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 95010794
(1S)-1-[3-(1-phenylcyclopentyl)-1,2,4-oxadiazol-5-yl]butan-1-amine
CID 107565318
(1R)-1-[3-(1-phenylcyclohexyl)-1,2,4-oxadiazol-5-yl]propan-1-amine
CID 104915277
3-[3-(1-phenylcyclobutyl)-1,2,4-oxadiazol-5-yl]butan-2-amine
CID 63350169
(1R)-3-methylsulfanyl-1-[3-(1-phenylcyclobutyl)-1,2,4-oxadiazol-5-yl]propan-1-amine
CID 104909434
[3-(1-phenylcyclobutyl)-1,2,4-oxadiazol-5-yl]methanamine
CID 63079286
1-[3-(1-phenylcyclopropyl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 63080701
3-amino-1-[3-(1-ethoxycyclopentyl)-1,2,4-oxadiazol-5-yl]propan-1-ol
CID 107837325

Frequently Asked Questions

What is the IUPAC name of (1S)-3-amino-1-[3-(1-phenylcyclopentyl)-1,2,4-oxadiazol-5-yl]propan-1-ol?
The IUPAC name of (1S)-3-amino-1-[3-(1-phenylcyclopentyl)-1,2,4-oxadiazol-5-yl]propan-1-ol (CID 107836886) is (1S)-3-amino-1-[3-(1-phenylcyclopentyl)-1,2,4-oxadiazol-5-yl]propan-1-ol.
What is the SMILES notation for (1S)-3-amino-1-[3-(1-phenylcyclopentyl)-1,2,4-oxadiazol-5-yl]propan-1-ol?
The canonical SMILES for (1S)-3-amino-1-[3-(1-phenylcyclopentyl)-1,2,4-oxadiazol-5-yl]propan-1-ol is NCC[C@H](O)c1nc(C2(c3ccccc3)CCCC2)no1.
What is the InChIKey of (1S)-3-amino-1-[3-(1-phenylcyclopentyl)-1,2,4-oxadiazol-5-yl]propan-1-ol?
The InChIKey is MKCYYNVXQHHKDK-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H21N3O2/c17-11-8-13(20)14-18-15(19-21-14)16(9-4-5-10-16)12-6-2-1-3-7-12/h1-3,6-7,13,20H,4-5,8-11,17H2/t13-/m0/s1.
What are the key properties of (1S)-3-amino-1-[3-(1-phenylcyclopentyl)-1,2,4-oxadiazol-5-yl]propan-1-ol?
(1S)-3-amino-1-[3-(1-phenylcyclopentyl)-1,2,4-oxadiazol-5-yl]propan-1-ol has a molecular weight of 287.36 g/mol, XLogP of 2.31, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-3-amino-1-[3-(1-phenylcyclopentyl)-1,2,4-oxadiazol-5-yl]propan-1-ol is sourced from PubChem (CID 107836886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).