(2S)-2-amino-3-methyl-1-[5-[(E)-2-phenylethenyl]-1,2,4-oxadiazol-3-yl]butan-1-ol

C15H19N3O2 — CID 67585902

IUPAC(2S)-2-amino-3-methyl-1-[5-[(E)-2-phenylethenyl]-1,2,4-oxadiazol-3-yl]butan-1-ol
SMILESCC(C)[C@H](N)C(O)c1noc(/C=C/c2ccccc2)n1
InChIInChI=1S/C15H19N3O2/c1-10(2)13(16)14(19)15-17-12(20-18-15)9-8-11-6-4-3-5-7-11/h3-10,13-14,19H,16H2,1-2H3/b9-8+/t13-,14?/m0/s1
InChIKeyNXZBTTUGROYTLR-SCHQNTBRSA-N
MW273.34 g/mol
LogP2.26
Rot. Bonds5

About (2S)-2-amino-3-methyl-1-[5-[(E)-2-phenylethenyl]-1,2,4-oxadiazol-3-yl]butan-1-ol

(2S)-2-amino-3-methyl-1-[5-[(E)-2-phenylethenyl]-1,2,4-oxadiazol-3-yl]butan-1-ol (PubChem CID 67585902) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is (2S)-2-amino-3-methyl-1-[5-[(E)-2-phenylethenyl]-1,2,4-oxadiazol-3-yl]butan-1-ol.

Molecular Properties

Compound Name(2S)-2-amino-3-methyl-1-[5-[(E)-2-phenylethenyl]-1,2,4-oxadiazol-3-yl]butan-1-ol
PubChem CID67585902
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC Name(2S)-2-amino-3-methyl-1-[5-[(E)-2-phenylethenyl]-1,2,4-oxadiazol-3-yl]butan-1-ol
SMILESCC(C)[C@H](N)C(O)c1noc(/C=C/c2ccccc2)n1
InChIInChI=1S/C15H19N3O2/c1-10(2)13(16)14(19)15-17-12(20-18-15)9-8-11-6-4-3-5-7-11/h3-10,13-14,19H,16H2,1-2H3/b9-8+/t13-,14?/m0/s1
InChIKeyNXZBTTUGROYTLR-SCHQNTBRSA-N
XLogP2.26
TPSA85.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (2S)-2-amino-3-methyl-1-[5-[(E)-2-phenylethenyl]-1,2,4-oxadiazol-3-yl]butan-1-ol with MolForge

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Related Compounds

(2S)-2-amino-1-[5-[(E)-2-(4-methoxyphenyl)ethenyl]-1,2,4-oxadiazol-3-yl]-3-methylbutan-1-ol;hydrochloride
CID 67585071
(2S)-2-amino-1-[5-[(2-methoxyphenyl)methyl]-1,2,4-oxadiazol-3-yl]-3-methylbutan-1-ol;hydrochloride
CID 67585921
3-[(E)-2-[3-(1-methylsulfonylethyl)-1,2,4-oxadiazol-5-yl]ethenyl]aniline
CID 116632651
4-[5-[(E)-2-phenylethenyl]-1,2,4-oxadiazol-3-yl]aniline
CID 133064436
3-(3,4-dimethoxyphenyl)-5-(2-phenylethenyl)-1,2,4-oxadiazole
CID 2994581
(E)-2-methyl-1-(3-methyl-1,2-oxazol-4-yl)-4-phenylbut-3-en-1-ol
CID 141296042
(E)-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)prop-2-enoic acid
CID 83764682
(Z,2R)-4-phenylbut-3-en-2-ol
CID 11457765
[2-[(E)-2-phenylethenyl]phenyl]methanediol
CID 23212079
2-amino-4-[5-[2-(4-methoxyphenyl)ethenyl]-1,2,4-oxadiazol-3-yl]-3-methylbutan-1-ol;hydrochloride
CID 67585074
2-amino-3-methyl-1-pyridin-2-ylbutan-1-ol
CID 82280795
3-(oxolan-3-yl)-5-(2-phenylethenyl)-1,2,4-oxadiazole
CID 71971345

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3-methyl-1-[5-[(E)-2-phenylethenyl]-1,2,4-oxadiazol-3-yl]butan-1-ol?
The IUPAC name of (2S)-2-amino-3-methyl-1-[5-[(E)-2-phenylethenyl]-1,2,4-oxadiazol-3-yl]butan-1-ol (CID 67585902) is (2S)-2-amino-3-methyl-1-[5-[(E)-2-phenylethenyl]-1,2,4-oxadiazol-3-yl]butan-1-ol.
What is the SMILES notation for (2S)-2-amino-3-methyl-1-[5-[(E)-2-phenylethenyl]-1,2,4-oxadiazol-3-yl]butan-1-ol?
The canonical SMILES for (2S)-2-amino-3-methyl-1-[5-[(E)-2-phenylethenyl]-1,2,4-oxadiazol-3-yl]butan-1-ol is CC(C)[C@H](N)C(O)c1noc(/C=C/c2ccccc2)n1.
What is the InChIKey of (2S)-2-amino-3-methyl-1-[5-[(E)-2-phenylethenyl]-1,2,4-oxadiazol-3-yl]butan-1-ol?
The InChIKey is NXZBTTUGROYTLR-SCHQNTBRSA-N. The full InChI is InChI=1S/C15H19N3O2/c1-10(2)13(16)14(19)15-17-12(20-18-15)9-8-11-6-4-3-5-7-11/h3-10,13-14,19H,16H2,1-2H3/b9-8+/t13-,14?/m0/s1.
What are the key properties of (2S)-2-amino-3-methyl-1-[5-[(E)-2-phenylethenyl]-1,2,4-oxadiazol-3-yl]butan-1-ol?
(2S)-2-amino-3-methyl-1-[5-[(E)-2-phenylethenyl]-1,2,4-oxadiazol-3-yl]butan-1-ol has a molecular weight of 273.34 g/mol, XLogP of 2.26, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-3-methyl-1-[5-[(E)-2-phenylethenyl]-1,2,4-oxadiazol-3-yl]butan-1-ol is sourced from PubChem (CID 67585902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).