(2S)-N-[[5-(3-chlorophenyl)-1,2,4-oxadiazol-3-yl]methyl]-2-phenylpropanamide

C18H16ClN3O2 — CID 95062335

IUPAC(2S)-N-[[5-(3-chlorophenyl)-1,2,4-oxadiazol-3-yl]methyl]-2-phenylpropanamide
SMILESC[C@H](C(=O)NCc1noc(-c2cccc(Cl)c2)n1)c1ccccc1
InChIInChI=1S/C18H16ClN3O2/c1-12(13-6-3-2-4-7-13)17(23)20-11-16-21-18(24-22-16)14-8-5-9-15(19)10-14/h2-10,12H,11H2,1H3,(H,20,23)/t12-/m0/s1
InChIKeyRDXRCSAIKLLPGN-LBPRGKRZSA-N
MW341.80 g/mol
LogP3.81
Rot. Bonds5

About (2S)-N-[[5-(3-chlorophenyl)-1,2,4-oxadiazol-3-yl]methyl]-2-phenylpropanamide

(2S)-N-[[5-(3-chlorophenyl)-1,2,4-oxadiazol-3-yl]methyl]-2-phenylpropanamide (PubChem CID 95062335) has the molecular formula C18H16ClN3O2 and a molecular weight of 341.80 g/mol. Its IUPAC name is (2S)-N-[[5-(3-chlorophenyl)-1,2,4-oxadiazol-3-yl]methyl]-2-phenylpropanamide.

Molecular Properties

Compound Name(2S)-N-[[5-(3-chlorophenyl)-1,2,4-oxadiazol-3-yl]methyl]-2-phenylpropanamide
PubChem CID95062335
Molecular FormulaC18H16ClN3O2
Molecular Weight341.80 g/mol
Exact Mass341.09
IUPAC Name(2S)-N-[[5-(3-chlorophenyl)-1,2,4-oxadiazol-3-yl]methyl]-2-phenylpropanamide
SMILESC[C@H](C(=O)NCc1noc(-c2cccc(Cl)c2)n1)c1ccccc1
InChIInChI=1S/C18H16ClN3O2/c1-12(13-6-3-2-4-7-13)17(23)20-11-16-21-18(24-22-16)14-8-5-9-15(19)10-14/h2-10,12H,11H2,1H3,(H,20,23)/t12-/m0/s1
InChIKeyRDXRCSAIKLLPGN-LBPRGKRZSA-N
XLogP3.81
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.80
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]methyl]-2-phenylpropanamide
CID 53049075
2-bromo-N-[[5-(3-chlorophenyl)-1,2,4-oxadiazol-3-yl]methyl]benzamide
CID 53049021
N-[[5-(3-chlorophenyl)-1,2,4-oxadiazol-3-yl]methyl]-3,5-dimethoxybenzamide
CID 53049034
N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]-2-phenylpropanamide
CID 50755004
(2S)-2-(3-chlorophenoxy)-N-[[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]methyl]propanamide
CID 95062327
N-[[5-(3-chlorophenyl)-1,2,4-oxadiazol-3-yl]methyl]-2,4-dimethoxybenzamide
CID 53049042
(2S)-N-[[5-(phenoxymethyl)-1,2,4-oxadiazol-3-yl]methyl]-2-phenylpropanamide
CID 92903063
2-(3-aminophenyl)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]propanamide
CID 106391286
4-chloro-2-[[5-(3-chlorophenyl)-1,2,4-oxadiazol-3-yl]methylamino]benzamide
CID 99589110
(2S)-1-[4-[[5-(3-chlorophenyl)-1,2,4-oxadiazol-3-yl]methyl]piperazin-1-yl]-2-phenylbutan-1-one
CID 92903005
2-[5-(3-chlorophenyl)-1,2,4-oxadiazol-3-yl]ethyl acetate
CID 151970918
N-[[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]-2-phenylacetamide
CID 50755617

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[[5-(3-chlorophenyl)-1,2,4-oxadiazol-3-yl]methyl]-2-phenylpropanamide?
The IUPAC name of (2S)-N-[[5-(3-chlorophenyl)-1,2,4-oxadiazol-3-yl]methyl]-2-phenylpropanamide (CID 95062335) is (2S)-N-[[5-(3-chlorophenyl)-1,2,4-oxadiazol-3-yl]methyl]-2-phenylpropanamide.
What is the SMILES notation for (2S)-N-[[5-(3-chlorophenyl)-1,2,4-oxadiazol-3-yl]methyl]-2-phenylpropanamide?
The canonical SMILES for (2S)-N-[[5-(3-chlorophenyl)-1,2,4-oxadiazol-3-yl]methyl]-2-phenylpropanamide is C[C@H](C(=O)NCc1noc(-c2cccc(Cl)c2)n1)c1ccccc1.
What is the InChIKey of (2S)-N-[[5-(3-chlorophenyl)-1,2,4-oxadiazol-3-yl]methyl]-2-phenylpropanamide?
The InChIKey is RDXRCSAIKLLPGN-LBPRGKRZSA-N. The full InChI is InChI=1S/C18H16ClN3O2/c1-12(13-6-3-2-4-7-13)17(23)20-11-16-21-18(24-22-16)14-8-5-9-15(19)10-14/h2-10,12H,11H2,1H3,(H,20,23)/t12-/m0/s1.
What are the key properties of (2S)-N-[[5-(3-chlorophenyl)-1,2,4-oxadiazol-3-yl]methyl]-2-phenylpropanamide?
(2S)-N-[[5-(3-chlorophenyl)-1,2,4-oxadiazol-3-yl]methyl]-2-phenylpropanamide has a molecular weight of 341.80 g/mol, XLogP of 3.81, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[[5-(3-chlorophenyl)-1,2,4-oxadiazol-3-yl]methyl]-2-phenylpropanamide is sourced from PubChem (CID 95062335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).