(3R)-4-[[5-(5-bromothiophen-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-3-methylmorpholine

C12H14BrN3O2S — CID 34553713

IUPAC(3R)-4-[[5-(5-bromothiophen-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-3-methylmorpholine
SMILESC[C@@H]1COCCN1Cc1nnc(-c2ccc(Br)s2)o1
InChIInChI=1S/C12H14BrN3O2S/c1-8-7-17-5-4-16(8)6-11-14-15-12(18-11)9-2-3-10(13)19-9/h2-3,8H,4-7H2,1H3/t8-/m1/s1
InChIKeyXEEKQXCEJMFFBB-MRVPVSSYSA-N
MW344.23 g/mol
LogP2.78
Rot. Bonds3

About (3R)-4-[[5-(5-bromothiophen-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-3-methylmorpholine

(3R)-4-[[5-(5-bromothiophen-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-3-methylmorpholine (PubChem CID 34553713) has the molecular formula C12H14BrN3O2S and a molecular weight of 344.23 g/mol. Its IUPAC name is (3R)-4-[[5-(5-bromothiophen-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-3-methylmorpholine.

Molecular Properties

Compound Name(3R)-4-[[5-(5-bromothiophen-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-3-methylmorpholine
PubChem CID34553713
Molecular FormulaC12H14BrN3O2S
Molecular Weight344.23 g/mol
Exact Mass343.00
IUPAC Name(3R)-4-[[5-(5-bromothiophen-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-3-methylmorpholine
SMILESC[C@@H]1COCCN1Cc1nnc(-c2ccc(Br)s2)o1
InChIInChI=1S/C12H14BrN3O2S/c1-8-7-17-5-4-16(8)6-11-14-15-12(18-11)9-2-3-10(13)19-9/h2-3,8H,4-7H2,1H3/t8-/m1/s1
InChIKeyXEEKQXCEJMFFBB-MRVPVSSYSA-N
XLogP2.78
TPSA51.39 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.23
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (3R)-4-[[5-(5-bromothiophen-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-3-methylmorpholine with MolForge

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Related Compounds

1-Morpholin-4-yl-2-(5-thiophen-2-yl-[1,3,4]oxadiazol-2-ylsulfanyl)-ethanone
CID 865186
N-[[5-(5-bromothiophen-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-1-cyclopropyl-N-methylethanamine
CID 45806529
N-[[5-(5-bromothiophen-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-N-methylpentan-2-amine
CID 51114402
N-[[5-(5-bromothiophen-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-1-(oxolan-2-yl)-N-(thiophen-2-ylmethyl)methanamine
CID 42921610
N-[[5-(5-bromothiophen-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-N,3-dimethylbutan-2-amine
CID 45883891
4-[2-[(5-Thiophen-2-yl-1,3,4-oxadiazol-2-yl)methylsulfanyl]ethyl]morpholine
CID 75393578
8-[(1S)-1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl]-1,4-dioxa-8-azaspiro[4.5]decane
CID 35426517
2-[(3,5-Dimethylpiperidin-1-yl)methyl]-5-thiophen-2-yl-1,3,4-oxadiazole
CID 53537269
N-methyl-N-[(1S)-1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl]propan-1-amine
CID 95262174
2-Thiophen-2-yl-5-[1-[3-(trifluoromethyl)piperidin-1-yl]ethyl]-1,3,4-oxadiazole
CID 53515032
2-thiophen-2-yl-5-[(1S)-1-[(3S)-3-(trifluoromethyl)piperidin-1-yl]ethyl]-1,3,4-oxadiazole
CID 94871588
2-thiophen-2-yl-5-[(1R)-1-[(3S)-3-(trifluoromethyl)piperidin-1-yl]ethyl]-1,3,4-oxadiazole
CID 95152616

Frequently Asked Questions

What is the IUPAC name of (3R)-4-[[5-(5-bromothiophen-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-3-methylmorpholine?
The IUPAC name of (3R)-4-[[5-(5-bromothiophen-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-3-methylmorpholine (CID 34553713) is (3R)-4-[[5-(5-bromothiophen-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-3-methylmorpholine.
What is the SMILES notation for (3R)-4-[[5-(5-bromothiophen-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-3-methylmorpholine?
The canonical SMILES for (3R)-4-[[5-(5-bromothiophen-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-3-methylmorpholine is C[C@@H]1COCCN1Cc1nnc(-c2ccc(Br)s2)o1.
What is the InChIKey of (3R)-4-[[5-(5-bromothiophen-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-3-methylmorpholine?
The InChIKey is XEEKQXCEJMFFBB-MRVPVSSYSA-N. The full InChI is InChI=1S/C12H14BrN3O2S/c1-8-7-17-5-4-16(8)6-11-14-15-12(18-11)9-2-3-10(13)19-9/h2-3,8H,4-7H2,1H3/t8-/m1/s1.
What are the key properties of (3R)-4-[[5-(5-bromothiophen-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-3-methylmorpholine?
(3R)-4-[[5-(5-bromothiophen-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-3-methylmorpholine has a molecular weight of 344.23 g/mol, XLogP of 2.78, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-4-[[5-(5-bromothiophen-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-3-methylmorpholine is sourced from PubChem (CID 34553713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).