1-[[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl-methylamino]-3-methoxypropan-2-ol

C14H18BrN3O3 — CID 62016169

IUPAC1-[[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl-methylamino]-3-methoxypropan-2-ol
SMILESCOCC(O)CN(C)Cc1nnc(-c2ccc(Br)cc2)o1
InChIInChI=1S/C14H18BrN3O3/c1-18(7-12(19)9-20-2)8-13-16-17-14(21-13)10-3-5-11(15)6-4-10/h3-6,12,19H,7-9H2,1-2H3
InChIKeyWVLUVICXWWTKMW-UHFFFAOYSA-N
MW356.22 g/mol
LogP1.94
Rot. Bonds7

About 1-[[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl-methylamino]-3-methoxypropan-2-ol

1-[[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl-methylamino]-3-methoxypropan-2-ol (PubChem CID 62016169) has the molecular formula C14H18BrN3O3 and a molecular weight of 356.22 g/mol. Its IUPAC name is 1-[[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl-methylamino]-3-methoxypropan-2-ol.

Molecular Properties

Compound Name1-[[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl-methylamino]-3-methoxypropan-2-ol
PubChem CID62016169
Molecular FormulaC14H18BrN3O3
Molecular Weight356.22 g/mol
Exact Mass355.05
IUPAC Name1-[[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl-methylamino]-3-methoxypropan-2-ol
SMILESCOCC(O)CN(C)Cc1nnc(-c2ccc(Br)cc2)o1
InChIInChI=1S/C14H18BrN3O3/c1-18(7-12(19)9-20-2)8-13-16-17-14(21-13)10-3-5-11(15)6-4-10/h3-6,12,19H,7-9H2,1-2H3
InChIKeyWVLUVICXWWTKMW-UHFFFAOYSA-N
XLogP1.94
TPSA71.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.22
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-[[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl-methylamino]-3-methoxypropan-2-ol 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

N'-[[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N'-methylethane-1,2-diamine
CID 62687008
1-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl-methylamino]propan-2-ol
CID 62334129
N-[[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl]-2-(3,5-dimethylphenoxy)-N-methylethanamine
CID 24507743
2-[[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl-(2,2-difluoroethyl)amino]ethanol
CID 107485432
1-cyclopropyl-2-[methyl-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]amino]ethanol
CID 111858859
[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]methanethiol
CID 82160182
1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl-methylamino]-3-methoxypropan-2-ol
CID 62015365
1-methoxy-3-[methyl-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]amino]propan-2-ol
CID 62015929
3-[[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl-ethylamino]propan-1-ol
CID 115669583
1-methoxy-3-[methyl(pyridin-4-ylmethyl)amino]propan-2-ol
CID 62016328
methyl 3-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl-methylamino]propanoate
CID 62013028
2-[[5-(4-butoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl-methylamino]-N,N-dimethylacetamide
CID 87013565

Frequently Asked Questions

What is the IUPAC name of 1-[[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl-methylamino]-3-methoxypropan-2-ol?
The IUPAC name of 1-[[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl-methylamino]-3-methoxypropan-2-ol (CID 62016169) is 1-[[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl-methylamino]-3-methoxypropan-2-ol.
What is the SMILES notation for 1-[[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl-methylamino]-3-methoxypropan-2-ol?
The canonical SMILES for 1-[[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl-methylamino]-3-methoxypropan-2-ol is COCC(O)CN(C)Cc1nnc(-c2ccc(Br)cc2)o1.
What is the InChIKey of 1-[[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl-methylamino]-3-methoxypropan-2-ol?
The InChIKey is WVLUVICXWWTKMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrN3O3/c1-18(7-12(19)9-20-2)8-13-16-17-14(21-13)10-3-5-11(15)6-4-10/h3-6,12,19H,7-9H2,1-2H3.
What are the key properties of 1-[[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl-methylamino]-3-methoxypropan-2-ol?
1-[[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl-methylamino]-3-methoxypropan-2-ol has a molecular weight of 356.22 g/mol, XLogP of 1.94, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl-methylamino]-3-methoxypropan-2-ol is sourced from PubChem (CID 62016169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).