N-[(2R)-2-hydroxy-2-phenylethyl]-3-phenyl-1,2,4-oxadiazole-5-carboxamide

C17H15N3O3 — CID 41129917

IUPACN-[(2R)-2-hydroxy-2-phenylethyl]-3-phenyl-1,2,4-oxadiazole-5-carboxamide
SMILESO=C(NC[C@H](O)c1ccccc1)c1nc(-c2ccccc2)no1
InChIInChI=1S/C17H15N3O3/c21-14(12-7-3-1-4-8-12)11-18-16(22)17-19-15(20-23-17)13-9-5-2-6-10-13/h1-10,14,21H,11H2,(H,18,22)/t14-/m0/s1
InChIKeyXGQIXLQQGRTNQC-AWEZNQCLSA-N
MW309.33 g/mol
LogP2.20
Rot. Bonds5

About N-[(2R)-2-hydroxy-2-phenylethyl]-3-phenyl-1,2,4-oxadiazole-5-carboxamide

N-[(2R)-2-hydroxy-2-phenylethyl]-3-phenyl-1,2,4-oxadiazole-5-carboxamide (PubChem CID 41129917) has the molecular formula C17H15N3O3 and a molecular weight of 309.33 g/mol. Its IUPAC name is N-[(2R)-2-hydroxy-2-phenylethyl]-3-phenyl-1,2,4-oxadiazole-5-carboxamide.

Molecular Properties

Compound NameN-[(2R)-2-hydroxy-2-phenylethyl]-3-phenyl-1,2,4-oxadiazole-5-carboxamide
PubChem CID41129917
Molecular FormulaC17H15N3O3
Molecular Weight309.33 g/mol
Exact Mass309.11
IUPAC NameN-[(2R)-2-hydroxy-2-phenylethyl]-3-phenyl-1,2,4-oxadiazole-5-carboxamide
SMILESO=C(NC[C@H](O)c1ccccc1)c1nc(-c2ccccc2)no1
InChIInChI=1S/C17H15N3O3/c21-14(12-7-3-1-4-8-12)11-18-16(22)17-19-15(20-23-17)13-9-5-2-6-10-13/h1-10,14,21H,11H2,(H,18,22)/t14-/m0/s1
InChIKeyXGQIXLQQGRTNQC-AWEZNQCLSA-N
XLogP2.20
TPSA88.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.33
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2S)-2-hydroxy-2-phenylethyl]-3-pyridin-4-yl-1,2,4-oxadiazole-5-carboxamide
CID 42569243
3-[4-(dimethylamino)phenyl]-N-[(2R)-2-hydroxy-2-phenylethyl]-1,2,4-oxadiazole-5-carboxamide
CID 29130336
3-[4-(dimethylamino)phenyl]-N-(2-hydroxy-2-phenylethyl)-1,2,4-oxadiazole-5-carboxamide
CID 42651150
3-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)-N-(2-hydroxy-2-phenylethyl)-1,2,4-oxadiazole-5-carboxamide
CID 42653534
3-phenyl-N-(pyridin-4-ylmethyl)-1,2,4-oxadiazole-5-carboxamide
CID 6472637
N-[(2S)-2-hydroxy-2-phenylethyl]benzamide
CID 6542363
3-(4-fluorophenyl)-N-[(2R)-2-hydroxypropyl]-1,2,4-oxadiazole-5-carboxamide
CID 42534811
N-[2-[(2,2-diphenylacetyl)amino]ethyl]-3-(4-fluorophenyl)-1,2,4-oxadiazole-5-carboxamide
CID 17083936
N-[3-(methylamino)propyl]-3-(4-phenylphenyl)-1,2,4-oxadiazole-5-carboxamide;hydrochloride
CID 11372206
N-benzyl-3-(3-methylphenyl)-1,2,4-oxadiazole-5-carboxamide
CID 6471451
3-phenyl-N-[2-(pyrazine-2-carbonylamino)ethyl]-1,2,4-oxadiazole-5-carboxamide
CID 16764583
(1R)-1-(4-fluorophenyl)-2-[(3-phenyl-1,2,4-oxadiazol-5-yl)amino]ethanol
CID 52531104

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-hydroxy-2-phenylethyl]-3-phenyl-1,2,4-oxadiazole-5-carboxamide?
The IUPAC name of N-[(2R)-2-hydroxy-2-phenylethyl]-3-phenyl-1,2,4-oxadiazole-5-carboxamide (CID 41129917) is N-[(2R)-2-hydroxy-2-phenylethyl]-3-phenyl-1,2,4-oxadiazole-5-carboxamide.
What is the SMILES notation for N-[(2R)-2-hydroxy-2-phenylethyl]-3-phenyl-1,2,4-oxadiazole-5-carboxamide?
The canonical SMILES for N-[(2R)-2-hydroxy-2-phenylethyl]-3-phenyl-1,2,4-oxadiazole-5-carboxamide is O=C(NC[C@H](O)c1ccccc1)c1nc(-c2ccccc2)no1.
What is the InChIKey of N-[(2R)-2-hydroxy-2-phenylethyl]-3-phenyl-1,2,4-oxadiazole-5-carboxamide?
The InChIKey is XGQIXLQQGRTNQC-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H15N3O3/c21-14(12-7-3-1-4-8-12)11-18-16(22)17-19-15(20-23-17)13-9-5-2-6-10-13/h1-10,14,21H,11H2,(H,18,22)/t14-/m0/s1.
What are the key properties of N-[(2R)-2-hydroxy-2-phenylethyl]-3-phenyl-1,2,4-oxadiazole-5-carboxamide?
N-[(2R)-2-hydroxy-2-phenylethyl]-3-phenyl-1,2,4-oxadiazole-5-carboxamide has a molecular weight of 309.33 g/mol, XLogP of 2.20, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-hydroxy-2-phenylethyl]-3-phenyl-1,2,4-oxadiazole-5-carboxamide is sourced from PubChem (CID 41129917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).