(2S)-2-amino-2-[3-(4-phenyloxan-4-yl)-1,2,4-oxadiazol-5-yl]ethanol

C15H19N3O3 — CID 104915705

IUPAC(2S)-2-amino-2-[3-(4-phenyloxan-4-yl)-1,2,4-oxadiazol-5-yl]ethanol
SMILESN[C@@H](CO)c1nc(C2(c3ccccc3)CCOCC2)no1
InChIInChI=1S/C15H19N3O3/c16-12(10-19)13-17-14(18-21-13)15(6-8-20-9-7-15)11-4-2-1-3-5-11/h1-5,12,19H,6-10,16H2/t12-/m0/s1
InChIKeyPGTPXDLNGVQKRC-LBPRGKRZSA-N
MW289.34 g/mol
LogP1.16
Rot. Bonds4

About (2S)-2-amino-2-[3-(4-phenyloxan-4-yl)-1,2,4-oxadiazol-5-yl]ethanol

(2S)-2-amino-2-[3-(4-phenyloxan-4-yl)-1,2,4-oxadiazol-5-yl]ethanol (PubChem CID 104915705) has the molecular formula C15H19N3O3 and a molecular weight of 289.34 g/mol. Its IUPAC name is (2S)-2-amino-2-[3-(4-phenyloxan-4-yl)-1,2,4-oxadiazol-5-yl]ethanol.

Molecular Properties

Compound Name(2S)-2-amino-2-[3-(4-phenyloxan-4-yl)-1,2,4-oxadiazol-5-yl]ethanol
PubChem CID104915705
Molecular FormulaC15H19N3O3
Molecular Weight289.34 g/mol
Exact Mass289.14
IUPAC Name(2S)-2-amino-2-[3-(4-phenyloxan-4-yl)-1,2,4-oxadiazol-5-yl]ethanol
SMILESN[C@@H](CO)c1nc(C2(c3ccccc3)CCOCC2)no1
InChIInChI=1S/C15H19N3O3/c16-12(10-19)13-17-14(18-21-13)15(6-8-20-9-7-15)11-4-2-1-3-5-11/h1-5,12,19H,6-10,16H2/t12-/m0/s1
InChIKeyPGTPXDLNGVQKRC-LBPRGKRZSA-N
XLogP1.16
TPSA94.40 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

(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]butan-1-amine
CID 107565318
(1R)-1-[3-(1-phenylcyclohexyl)-1,2,4-oxadiazol-5-yl]propan-1-amine
CID 104915277
1-[3-(1-phenylcyclopropyl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 63080701
(1R)-3-methylsulfanyl-1-[3-(1-phenylcyclobutyl)-1,2,4-oxadiazol-5-yl]propan-1-amine
CID 104909434
3-[3-(1-phenylcyclobutyl)-1,2,4-oxadiazol-5-yl]butan-2-amine
CID 63350169
(1S)-1-[3-(1-phenylcyclopentyl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 95010794
(1S,2S)-2-methyl-1-[3-(1-phenylcyclopropyl)-1,2,4-oxadiazol-5-yl]butan-1-amine
CID 104900094
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
[2-(4-phenyloxan-4-yl)pyrimidin-4-yl]hydrazine
CID 63081361
(1S)-3-amino-1-[3-(1-phenylcyclopentyl)-1,2,4-oxadiazol-5-yl]propan-1-ol
CID 107836886

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-2-[3-(4-phenyloxan-4-yl)-1,2,4-oxadiazol-5-yl]ethanol?
The IUPAC name of (2S)-2-amino-2-[3-(4-phenyloxan-4-yl)-1,2,4-oxadiazol-5-yl]ethanol (CID 104915705) is (2S)-2-amino-2-[3-(4-phenyloxan-4-yl)-1,2,4-oxadiazol-5-yl]ethanol.
What is the SMILES notation for (2S)-2-amino-2-[3-(4-phenyloxan-4-yl)-1,2,4-oxadiazol-5-yl]ethanol?
The canonical SMILES for (2S)-2-amino-2-[3-(4-phenyloxan-4-yl)-1,2,4-oxadiazol-5-yl]ethanol is N[C@@H](CO)c1nc(C2(c3ccccc3)CCOCC2)no1.
What is the InChIKey of (2S)-2-amino-2-[3-(4-phenyloxan-4-yl)-1,2,4-oxadiazol-5-yl]ethanol?
The InChIKey is PGTPXDLNGVQKRC-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H19N3O3/c16-12(10-19)13-17-14(18-21-13)15(6-8-20-9-7-15)11-4-2-1-3-5-11/h1-5,12,19H,6-10,16H2/t12-/m0/s1.
What are the key properties of (2S)-2-amino-2-[3-(4-phenyloxan-4-yl)-1,2,4-oxadiazol-5-yl]ethanol?
(2S)-2-amino-2-[3-(4-phenyloxan-4-yl)-1,2,4-oxadiazol-5-yl]ethanol has a molecular weight of 289.34 g/mol, XLogP of 1.16, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-2-[3-(4-phenyloxan-4-yl)-1,2,4-oxadiazol-5-yl]ethanol is sourced from PubChem (CID 104915705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).