4-[4-[5-[(2-bromophenyl)methyl]-1,2,4-oxadiazol-3-yl]phenyl]morpholine

C19H18BrN3O2 — CID 50769553

IUPAC4-[4-[5-[(2-bromophenyl)methyl]-1,2,4-oxadiazol-3-yl]phenyl]morpholine
SMILESBrc1ccccc1Cc1nc(-c2ccc(N3CCOCC3)cc2)no1
InChIInChI=1S/C19H18BrN3O2/c20-17-4-2-1-3-15(17)13-18-21-19(22-25-18)14-5-7-16(8-6-14)23-9-11-24-12-10-23/h1-8H,9-13H2
InChIKeyCXHAYCQEAYUSAS-UHFFFAOYSA-N
MW400.28 g/mol
LogP3.93
Rot. Bonds4

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

4-[4-[5-[(2-bromophenyl)methyl]-1,2,4-oxadiazol-3-yl]phenyl]morpholine (PubChem CID 50769553) has the molecular formula C19H18BrN3O2 and a molecular weight of 400.28 g/mol. Its IUPAC name is 4-[4-[5-[(2-bromophenyl)methyl]-1,2,4-oxadiazol-3-yl]phenyl]morpholine.

Molecular Properties

Compound Name4-[4-[5-[(2-bromophenyl)methyl]-1,2,4-oxadiazol-3-yl]phenyl]morpholine
PubChem CID50769553
Molecular FormulaC19H18BrN3O2
Molecular Weight400.28 g/mol
Exact Mass399.06
IUPAC Name4-[4-[5-[(2-bromophenyl)methyl]-1,2,4-oxadiazol-3-yl]phenyl]morpholine
SMILESBrc1ccccc1Cc1nc(-c2ccc(N3CCOCC3)cc2)no1
InChIInChI=1S/C19H18BrN3O2/c20-17-4-2-1-3-15(17)13-18-21-19(22-25-18)14-5-7-16(8-6-14)23-9-11-24-12-10-23/h1-8H,9-13H2
InChIKeyCXHAYCQEAYUSAS-UHFFFAOYSA-N
XLogP3.93
TPSA51.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.28
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 4-[4-[5-[(2-bromophenyl)methyl]-1,2,4-oxadiazol-3-yl]phenyl]morpholine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[4-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]phenyl]morpholine
CID 50769427
N-[[3-(4-morpholin-4-ylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-phenylacetamide
CID 46296149
[4-[5-(4-morpholin-4-ylphenyl)-1,2,4-oxadiazol-3-yl]phenyl]methanamine;hydrochloride
CID 120893278
[2-[[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl]phenyl]methanamine
CID 81312269
3-(4-morpholin-4-ylphenyl)-1,2,4-oxadiazole-5-carboxamide
CID 154784421
5-[(4-fluorophenyl)methyl]-3-(4-piperidin-1-ylphenyl)-1,2,4-oxadiazole
CID 50769641
5-[(3-fluorophenyl)methyl]-3-(4-pyrrolidin-1-ylphenyl)-1,2,4-oxadiazole
CID 50769361
5-[5-[(2-bromophenyl)methyl]-1,2,4-oxadiazol-3-yl]-2-methyl-1,3-benzoxazole
CID 53140950
5-[5-[(2-bromophenyl)methyl]-1,2,4-oxadiazol-3-yl]-2-ethyl-1,3-benzoxazole
CID 53141081
N,N-dimethyl-3-[3-(4-morpholin-4-ylphenyl)-1,2,4-oxadiazol-5-yl]aniline
CID 50769624
4-[5-[5-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]morpholine
CID 53162754
2-[2-[3-[4-(morpholin-4-ylmethyl)phenyl]-1,2,4-oxadiazol-5-yl]ethyl]aniline;hydrochloride
CID 120840655

Frequently Asked Questions

What is the IUPAC name of 4-[4-[5-[(2-bromophenyl)methyl]-1,2,4-oxadiazol-3-yl]phenyl]morpholine?
The IUPAC name of 4-[4-[5-[(2-bromophenyl)methyl]-1,2,4-oxadiazol-3-yl]phenyl]morpholine (CID 50769553) is 4-[4-[5-[(2-bromophenyl)methyl]-1,2,4-oxadiazol-3-yl]phenyl]morpholine.
What is the SMILES notation for 4-[4-[5-[(2-bromophenyl)methyl]-1,2,4-oxadiazol-3-yl]phenyl]morpholine?
The canonical SMILES for 4-[4-[5-[(2-bromophenyl)methyl]-1,2,4-oxadiazol-3-yl]phenyl]morpholine is Brc1ccccc1Cc1nc(-c2ccc(N3CCOCC3)cc2)no1.
What is the InChIKey of 4-[4-[5-[(2-bromophenyl)methyl]-1,2,4-oxadiazol-3-yl]phenyl]morpholine?
The InChIKey is CXHAYCQEAYUSAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18BrN3O2/c20-17-4-2-1-3-15(17)13-18-21-19(22-25-18)14-5-7-16(8-6-14)23-9-11-24-12-10-23/h1-8H,9-13H2.
What are the key properties of 4-[4-[5-[(2-bromophenyl)methyl]-1,2,4-oxadiazol-3-yl]phenyl]morpholine?
4-[4-[5-[(2-bromophenyl)methyl]-1,2,4-oxadiazol-3-yl]phenyl]morpholine has a molecular weight of 400.28 g/mol, XLogP of 3.93, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[5-[(2-bromophenyl)methyl]-1,2,4-oxadiazol-3-yl]phenyl]morpholine is sourced from PubChem (CID 50769553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).