N-[(1S)-2-hydroxy-1-phenylethyl]-3-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide

C20H21N3O3 — CID 50968169

IUPACN-[(1S)-2-hydroxy-1-phenylethyl]-3-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide
SMILESCc1ccccc1-c1noc(CCC(=O)N[C@H](CO)c2ccccc2)n1
InChIInChI=1S/C20H21N3O3/c1-14-7-5-6-10-16(14)20-22-19(26-23-20)12-11-18(25)21-17(13-24)15-8-3-2-4-9-15/h2-10,17,24H,11-13H2,1H3,(H,21,25)/t17-/m1/s1
InChIKeyYPEDBPFXHIXQNQ-QGZVFWFLSA-N
MW351.41 g/mol
LogP2.83
Rot. Bonds7

About N-[(1S)-2-hydroxy-1-phenylethyl]-3-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide

N-[(1S)-2-hydroxy-1-phenylethyl]-3-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide (PubChem CID 50968169) has the molecular formula C20H21N3O3 and a molecular weight of 351.41 g/mol. Its IUPAC name is N-[(1S)-2-hydroxy-1-phenylethyl]-3-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide.

Molecular Properties

Compound NameN-[(1S)-2-hydroxy-1-phenylethyl]-3-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide
PubChem CID50968169
Molecular FormulaC20H21N3O3
Molecular Weight351.41 g/mol
Exact Mass351.16
IUPAC NameN-[(1S)-2-hydroxy-1-phenylethyl]-3-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide
SMILESCc1ccccc1-c1noc(CCC(=O)N[C@H](CO)c2ccccc2)n1
InChIInChI=1S/C20H21N3O3/c1-14-7-5-6-10-16(14)20-22-19(26-23-20)12-11-18(25)21-17(13-24)15-8-3-2-4-9-15/h2-10,17,24H,11-13H2,1H3,(H,21,25)/t17-/m1/s1
InChIKeyYPEDBPFXHIXQNQ-QGZVFWFLSA-N
XLogP2.83
TPSA88.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1S)-2-hydroxy-1-phenylethyl]-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 110204727
N-[1-(4-chlorophenyl)ethyl]-3-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 133209743
N-benzhydryl-3-(3-naphthalen-1-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 100762045
(3S)-3-[3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]propanoylamino]-3-(2-methylphenyl)propanoic acid
CID 71240342
N-(1-hydroxypropan-2-yl)-2-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]acetamide
CID 110428206
4-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]-N-[(1R)-2-hydroxy-1-phenylethyl]butanamide
CID 100907272
N-(2-ethylphenyl)-3-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 100758721
N-benzhydryl-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanamide
CID 9192496
3-[3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]propanoylamino]-3-(4-methoxyphenyl)propanoic acid
CID 71269554
N-[2-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-2-phenylacetamide
CID 110323634
(2S)-2-[3-[3-(1H-indol-4-yl)-1,2,4-oxadiazol-5-yl]propanoylamino]-2-phenylacetic acid
CID 91639967
N-[(2S)-butan-2-yl]-3-(3-naphthalen-1-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 100761242

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-2-hydroxy-1-phenylethyl]-3-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide?
The IUPAC name of N-[(1S)-2-hydroxy-1-phenylethyl]-3-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide (CID 50968169) is N-[(1S)-2-hydroxy-1-phenylethyl]-3-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide.
What is the SMILES notation for N-[(1S)-2-hydroxy-1-phenylethyl]-3-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide?
The canonical SMILES for N-[(1S)-2-hydroxy-1-phenylethyl]-3-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide is Cc1ccccc1-c1noc(CCC(=O)N[C@H](CO)c2ccccc2)n1.
What is the InChIKey of N-[(1S)-2-hydroxy-1-phenylethyl]-3-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide?
The InChIKey is YPEDBPFXHIXQNQ-QGZVFWFLSA-N. The full InChI is InChI=1S/C20H21N3O3/c1-14-7-5-6-10-16(14)20-22-19(26-23-20)12-11-18(25)21-17(13-24)15-8-3-2-4-9-15/h2-10,17,24H,11-13H2,1H3,(H,21,25)/t17-/m1/s1.
What are the key properties of N-[(1S)-2-hydroxy-1-phenylethyl]-3-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide?
N-[(1S)-2-hydroxy-1-phenylethyl]-3-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide has a molecular weight of 351.41 g/mol, XLogP of 2.83, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-2-hydroxy-1-phenylethyl]-3-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide is sourced from PubChem (CID 50968169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).