(3S)-4-[[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl]-3-methylmorpholine

C14H16BrN3O2 — CID 34553697

IUPAC(3S)-4-[[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl]-3-methylmorpholine
SMILESC[C@H]1COCCN1Cc1nc(-c2cccc(Br)c2)no1
InChIInChI=1S/C14H16BrN3O2/c1-10-9-19-6-5-18(10)8-13-16-14(17-20-13)11-3-2-4-12(15)7-11/h2-4,7,10H,5-6,8-9H2,1H3/t10-/m0/s1
InChIKeyCURIQEKGTPGTIZ-JTQLQIEISA-N
MW338.21 g/mol
LogP2.72
Rot. Bonds3

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

(3S)-4-[[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl]-3-methylmorpholine (PubChem CID 34553697) has the molecular formula C14H16BrN3O2 and a molecular weight of 338.21 g/mol. Its IUPAC name is (3S)-4-[[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl]-3-methylmorpholine.

Molecular Properties

Compound Name(3S)-4-[[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl]-3-methylmorpholine
PubChem CID34553697
Molecular FormulaC14H16BrN3O2
Molecular Weight338.21 g/mol
Exact Mass337.04
IUPAC Name(3S)-4-[[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl]-3-methylmorpholine
SMILESC[C@H]1COCCN1Cc1nc(-c2cccc(Br)c2)no1
InChIInChI=1S/C14H16BrN3O2/c1-10-9-19-6-5-18(10)8-13-16-14(17-20-13)11-3-2-4-12(15)7-11/h2-4,7,10H,5-6,8-9H2,1H3/t10-/m0/s1
InChIKeyCURIQEKGTPGTIZ-JTQLQIEISA-N
XLogP2.72
TPSA51.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.21
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-(3-bromophenyl)-5-[(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methyl]-1,2,4-oxadiazole
CID 55445463
1-[[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidine-3,4-diol
CID 106672017
(3R)-1-[[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidin-3-ol
CID 78963343
5-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-ylmethyl)-3-(3-bromophenyl)-1,2,4-oxadiazole
CID 60916558
1-[1-[[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidin-3-yl]ethanol
CID 115966853
4-[5-[[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]-4-methyl-1,2,4-triazol-3-yl]morpholine
CID 38141198
3-(3-bromophenyl)-5-(iodomethyl)-1,2,4-oxadiazole
CID 64787760
3-(3-bromophenyl)-5-[[2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]methyl]-1,2,4-oxadiazole
CID 42921594
1-[[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl]-3-methylpiperidin-3-ol
CID 115874173
1-[4-[[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl]-1,4-diazepan-1-yl]ethanone
CID 51271733
5-[[(2R)-2-methylpiperazin-1-yl]methyl]-3-phenyl-1,2,4-oxadiazole
CID 82714094
1-[[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-tert-butylpiperidine-4-carboxamide
CID 38145803

Frequently Asked Questions

What is the IUPAC name of (3S)-4-[[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl]-3-methylmorpholine?
The IUPAC name of (3S)-4-[[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl]-3-methylmorpholine (CID 34553697) is (3S)-4-[[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl]-3-methylmorpholine.
What is the SMILES notation for (3S)-4-[[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl]-3-methylmorpholine?
The canonical SMILES for (3S)-4-[[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl]-3-methylmorpholine is C[C@H]1COCCN1Cc1nc(-c2cccc(Br)c2)no1.
What is the InChIKey of (3S)-4-[[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl]-3-methylmorpholine?
The InChIKey is CURIQEKGTPGTIZ-JTQLQIEISA-N. The full InChI is InChI=1S/C14H16BrN3O2/c1-10-9-19-6-5-18(10)8-13-16-14(17-20-13)11-3-2-4-12(15)7-11/h2-4,7,10H,5-6,8-9H2,1H3/t10-/m0/s1.
What are the key properties of (3S)-4-[[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl]-3-methylmorpholine?
(3S)-4-[[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl]-3-methylmorpholine has a molecular weight of 338.21 g/mol, XLogP of 2.72, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-4-[[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl]-3-methylmorpholine is sourced from PubChem (CID 34553697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).