(2R)-2-[[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2-phenylphenyl)propanamide

C23H18BrN3O2S — CID 40814740

IUPAC(2R)-2-[[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2-phenylphenyl)propanamide
SMILESC[C@@H](Sc1nnc(-c2ccc(Br)cc2)o1)C(=O)Nc1ccccc1-c1ccccc1
InChIInChI=1S/C23H18BrN3O2S/c1-15(30-23-27-26-22(29-23)17-11-13-18(24)14-12-17)21(28)25-20-10-6-5-9-19(20)16-7-3-2-4-8-16/h2-15H,1H3,(H,25,28)/t15-/m1/s1
InChIKeyAVIYGOMYMGMWOO-OAHLLOKOSA-N
MW480.39 g/mol
LogP6.29
Rot. Bonds6

About (2R)-2-[[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2-phenylphenyl)propanamide

(2R)-2-[[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2-phenylphenyl)propanamide (PubChem CID 40814740) has the molecular formula C23H18BrN3O2S and a molecular weight of 480.39 g/mol. Its IUPAC name is (2R)-2-[[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2-phenylphenyl)propanamide.

Molecular Properties

Compound Name(2R)-2-[[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2-phenylphenyl)propanamide
PubChem CID40814740
Molecular FormulaC23H18BrN3O2S
Molecular Weight480.39 g/mol
Exact Mass479.03
IUPAC Name(2R)-2-[[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2-phenylphenyl)propanamide
SMILESC[C@@H](Sc1nnc(-c2ccc(Br)cc2)o1)C(=O)Nc1ccccc1-c1ccccc1
InChIInChI=1S/C23H18BrN3O2S/c1-15(30-23-27-26-22(29-23)17-11-13-18(24)14-12-17)21(28)25-20-10-6-5-9-19(20)16-7-3-2-4-8-16/h2-15H,1H3,(H,25,28)/t15-/m1/s1
InChIKeyAVIYGOMYMGMWOO-OAHLLOKOSA-N
XLogP6.29
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500480.39
LogP ≤ 56.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-2-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2-phenylphenyl)propanamide
CID 7556769
(2R)-2-[[5-(3,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2-phenylphenyl)propanamide
CID 40815399
(2S)-2-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2-propan-2-ylphenyl)propanamide
CID 8552797
(2R)-2-[(5-benzyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-(2-phenylphenyl)propanamide
CID 7420206
(2R)-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-(2,3,4-trifluorophenyl)propanamide
CID 7459297
(2R)-N-(2-methoxyphenyl)-2-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide
CID 7556784
(2S)-N-(2-methoxyphenyl)-2-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide
CID 2633664
(2S)-2-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2-methylphenyl)propanamide
CID 2579369
(2S)-N-carbamoyl-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]propanamide
CID 2638577
(2S)-N-cyclopropyl-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]propanamide
CID 7459294
2-(1,3-benzoxazol-2-ylsulfanyl)-N-(2-phenylphenyl)propanamide
CID 18075869
N-(3,5-dichlorophenyl)-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]propanamide
CID 16537072

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2-phenylphenyl)propanamide?
The IUPAC name of (2R)-2-[[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2-phenylphenyl)propanamide (CID 40814740) is (2R)-2-[[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2-phenylphenyl)propanamide.
What is the SMILES notation for (2R)-2-[[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2-phenylphenyl)propanamide?
The canonical SMILES for (2R)-2-[[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2-phenylphenyl)propanamide is C[C@@H](Sc1nnc(-c2ccc(Br)cc2)o1)C(=O)Nc1ccccc1-c1ccccc1.
What is the InChIKey of (2R)-2-[[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2-phenylphenyl)propanamide?
The InChIKey is AVIYGOMYMGMWOO-OAHLLOKOSA-N. The full InChI is InChI=1S/C23H18BrN3O2S/c1-15(30-23-27-26-22(29-23)17-11-13-18(24)14-12-17)21(28)25-20-10-6-5-9-19(20)16-7-3-2-4-8-16/h2-15H,1H3,(H,25,28)/t15-/m1/s1.
What are the key properties of (2R)-2-[[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2-phenylphenyl)propanamide?
(2R)-2-[[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2-phenylphenyl)propanamide has a molecular weight of 480.39 g/mol, XLogP of 6.29, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2-phenylphenyl)propanamide is sourced from PubChem (CID 40814740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).