N-[(2S)-2-hydroxy-2-phenylethyl]-3-pyridin-4-yl-1,2,4-oxadiazole-5-carboxamide

C16H14N4O3 — CID 42569243

IUPACN-[(2S)-2-hydroxy-2-phenylethyl]-3-pyridin-4-yl-1,2,4-oxadiazole-5-carboxamide
SMILESO=C(NC[C@@H](O)c1ccccc1)c1nc(-c2ccncc2)no1
InChIInChI=1S/C16H14N4O3/c21-13(11-4-2-1-3-5-11)10-18-15(22)16-19-14(20-23-16)12-6-8-17-9-7-12/h1-9,13,21H,10H2,(H,18,22)/t13-/m1/s1
InChIKeyZEBQHTQSIXTVAD-CYBMUJFWSA-N
MW310.31 g/mol
LogP1.60
Rot. Bonds5

About N-[(2S)-2-hydroxy-2-phenylethyl]-3-pyridin-4-yl-1,2,4-oxadiazole-5-carboxamide

N-[(2S)-2-hydroxy-2-phenylethyl]-3-pyridin-4-yl-1,2,4-oxadiazole-5-carboxamide (PubChem CID 42569243) has the molecular formula C16H14N4O3 and a molecular weight of 310.31 g/mol. Its IUPAC name is N-[(2S)-2-hydroxy-2-phenylethyl]-3-pyridin-4-yl-1,2,4-oxadiazole-5-carboxamide.

Molecular Properties

Compound NameN-[(2S)-2-hydroxy-2-phenylethyl]-3-pyridin-4-yl-1,2,4-oxadiazole-5-carboxamide
PubChem CID42569243
Molecular FormulaC16H14N4O3
Molecular Weight310.31 g/mol
Exact Mass310.11
IUPAC NameN-[(2S)-2-hydroxy-2-phenylethyl]-3-pyridin-4-yl-1,2,4-oxadiazole-5-carboxamide
SMILESO=C(NC[C@@H](O)c1ccccc1)c1nc(-c2ccncc2)no1
InChIInChI=1S/C16H14N4O3/c21-13(11-4-2-1-3-5-11)10-18-15(22)16-19-14(20-23-16)12-6-8-17-9-7-12/h1-9,13,21H,10H2,(H,18,22)/t13-/m1/s1
InChIKeyZEBQHTQSIXTVAD-CYBMUJFWSA-N
XLogP1.60
TPSA101.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.31
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(2R)-2-hydroxy-2-phenylethyl]-3-phenyl-1,2,4-oxadiazole-5-carboxamide
CID 41129917
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-phenyl-N-(pyridin-4-ylmethyl)-1,2,4-oxadiazole-5-carboxamide
CID 6472637
3-pyridin-4-yl-N-(pyridin-2-ylmethyl)-1,2,4-oxadiazole-5-carboxamide
CID 22521001
N-benzyl-N-methyl-3-pyridin-4-yl-1,2,4-oxadiazole-5-carboxamide
CID 22520991
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-[2-(pyrazine-2-carbonylamino)ethyl]-1,2,4-oxadiazole-5-carboxamide
CID 16764583
N-(2-hydroxy-2-phenylethyl)-2-pyridin-4-ylquinoline-4-carboxamide
CID 42654572
N-[(2S)-2-hydroxy-2-phenylethyl]benzamide
CID 6542363
phenyl-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methanol
CID 63850087
3-(4-fluorophenyl)-N-[(2R)-2-hydroxypropyl]-1,2,4-oxadiazole-5-carboxamide
CID 42534811

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-hydroxy-2-phenylethyl]-3-pyridin-4-yl-1,2,4-oxadiazole-5-carboxamide?
The IUPAC name of N-[(2S)-2-hydroxy-2-phenylethyl]-3-pyridin-4-yl-1,2,4-oxadiazole-5-carboxamide (CID 42569243) is N-[(2S)-2-hydroxy-2-phenylethyl]-3-pyridin-4-yl-1,2,4-oxadiazole-5-carboxamide.
What is the SMILES notation for N-[(2S)-2-hydroxy-2-phenylethyl]-3-pyridin-4-yl-1,2,4-oxadiazole-5-carboxamide?
The canonical SMILES for N-[(2S)-2-hydroxy-2-phenylethyl]-3-pyridin-4-yl-1,2,4-oxadiazole-5-carboxamide is O=C(NC[C@@H](O)c1ccccc1)c1nc(-c2ccncc2)no1.
What is the InChIKey of N-[(2S)-2-hydroxy-2-phenylethyl]-3-pyridin-4-yl-1,2,4-oxadiazole-5-carboxamide?
The InChIKey is ZEBQHTQSIXTVAD-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H14N4O3/c21-13(11-4-2-1-3-5-11)10-18-15(22)16-19-14(20-23-16)12-6-8-17-9-7-12/h1-9,13,21H,10H2,(H,18,22)/t13-/m1/s1.
What are the key properties of N-[(2S)-2-hydroxy-2-phenylethyl]-3-pyridin-4-yl-1,2,4-oxadiazole-5-carboxamide?
N-[(2S)-2-hydroxy-2-phenylethyl]-3-pyridin-4-yl-1,2,4-oxadiazole-5-carboxamide has a molecular weight of 310.31 g/mol, XLogP of 1.60, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-hydroxy-2-phenylethyl]-3-pyridin-4-yl-1,2,4-oxadiazole-5-carboxamide is sourced from PubChem (CID 42569243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).