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

C11H10BrN3O2S — CID 7594847

IUPAC(2S)-2-[[5-(3-bromophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide
SMILESC[C@H](Sc1nnc(-c2cccc(Br)c2)o1)C(N)=O
InChIInChI=1S/C11H10BrN3O2S/c1-6(9(13)16)18-11-15-14-10(17-11)7-3-2-4-8(12)5-7/h2-6H,1H3,(H2,13,16)/t6-/m0/s1
InChIKeyBUKIRRPUYNAGMO-LURJTMIESA-N
MW328.19 g/mol
LogP2.46
Rot. Bonds4

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

(2S)-2-[[5-(3-bromophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide (PubChem CID 7594847) has the molecular formula C11H10BrN3O2S and a molecular weight of 328.19 g/mol. Its IUPAC name is (2S)-2-[[5-(3-bromophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide.

Molecular Properties

Compound Name(2S)-2-[[5-(3-bromophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide
PubChem CID7594847
Molecular FormulaC11H10BrN3O2S
Molecular Weight328.19 g/mol
Exact Mass326.97
IUPAC Name(2S)-2-[[5-(3-bromophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide
SMILESC[C@H](Sc1nnc(-c2cccc(Br)c2)o1)C(N)=O
InChIInChI=1S/C11H10BrN3O2S/c1-6(9(13)16)18-11-15-14-10(17-11)7-3-2-4-8(12)5-7/h2-6H,1H3,(H2,13,16)/t6-/m0/s1
InChIKeyBUKIRRPUYNAGMO-LURJTMIESA-N
XLogP2.46
TPSA82.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.19
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[5-(3-bromophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(4-fluorophenyl)propanamide
CID 18281191
(2S)-2-[[5-(3-bromophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-(4-ethoxyphenyl)propan-1-one
CID 41252365
(2R)-2-[[5-(3-bromophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(4-ethylphenyl)propanamide
CID 41260176
(2R)-2-[[5-(3-bromophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-(2-methyl-1H-indol-3-yl)propan-1-one
CID 41218687
(2R)-2-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanyl]propanamide
CID 1170468
2-(3-bromophenyl)-5-methylsulfanyl-1,3,4-oxadiazole
CID 82488242
(2R)-N-carbamoyl-2-[[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide
CID 7417426
2-[[5-(3-bromophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-[(2R)-pentan-2-yl]acetamide
CID 7594821
(2R)-2-[[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide
CID 7444226
2-(3-bromophenyl)-5-propan-2-yl-1,3,4-oxadiazole
CID 54593869
(2S)-N-carbamoyl-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]propanamide
CID 2638577
3-[[5-(3-bromophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N,N-diethylpropanamide
CID 3503612

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[5-(3-bromophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide?
The IUPAC name of (2S)-2-[[5-(3-bromophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide (CID 7594847) is (2S)-2-[[5-(3-bromophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide.
What is the SMILES notation for (2S)-2-[[5-(3-bromophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide?
The canonical SMILES for (2S)-2-[[5-(3-bromophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide is C[C@H](Sc1nnc(-c2cccc(Br)c2)o1)C(N)=O.
What is the InChIKey of (2S)-2-[[5-(3-bromophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide?
The InChIKey is BUKIRRPUYNAGMO-LURJTMIESA-N. The full InChI is InChI=1S/C11H10BrN3O2S/c1-6(9(13)16)18-11-15-14-10(17-11)7-3-2-4-8(12)5-7/h2-6H,1H3,(H2,13,16)/t6-/m0/s1.
What are the key properties of (2S)-2-[[5-(3-bromophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide?
(2S)-2-[[5-(3-bromophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide has a molecular weight of 328.19 g/mol, XLogP of 2.46, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[5-(3-bromophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide is sourced from PubChem (CID 7594847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).