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

C12H14BrN3O2 — CID 138017520

IUPAC(1R)-1-(4-bromophenyl)-2-[(4-methyl-1,2,5-oxadiazol-3-yl)methylamino]ethanol
SMILESCc1nonc1CNC[C@H](O)c1ccc(Br)cc1
InChIInChI=1S/C12H14BrN3O2/c1-8-11(16-18-15-8)6-14-7-12(17)9-2-4-10(13)5-3-9/h2-5,12,14,17H,6-7H2,1H3/t12-/m0/s1
InChIKeyWPFGZHPQHPOMHI-LBPRGKRZSA-N
MW312.17 g/mol
LogP1.96
Rot. Bonds5

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

(1R)-1-(4-bromophenyl)-2-[(4-methyl-1,2,5-oxadiazol-3-yl)methylamino]ethanol (PubChem CID 138017520) has the molecular formula C12H14BrN3O2 and a molecular weight of 312.17 g/mol. Its IUPAC name is (1R)-1-(4-bromophenyl)-2-[(4-methyl-1,2,5-oxadiazol-3-yl)methylamino]ethanol.

Molecular Properties

Compound Name(1R)-1-(4-bromophenyl)-2-[(4-methyl-1,2,5-oxadiazol-3-yl)methylamino]ethanol
PubChem CID138017520
Molecular FormulaC12H14BrN3O2
Molecular Weight312.17 g/mol
Exact Mass311.03
IUPAC Name(1R)-1-(4-bromophenyl)-2-[(4-methyl-1,2,5-oxadiazol-3-yl)methylamino]ethanol
SMILESCc1nonc1CNC[C@H](O)c1ccc(Br)cc1
InChIInChI=1S/C12H14BrN3O2/c1-8-11(16-18-15-8)6-14-7-12(17)9-2-4-10(13)5-3-9/h2-5,12,14,17H,6-7H2,1H3/t12-/m0/s1
InChIKeyWPFGZHPQHPOMHI-LBPRGKRZSA-N
XLogP1.96
TPSA71.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.17
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(4-Methyl-1,2,5-oxadiazol-3-yl)methylamino]-1-phenylethanol
CID 64061833
2-[(4-Methyl-1,2,5-oxadiazol-3-yl)methylamino]-2-phenylethanol
CID 64063452
[3-[[(4-Methyl-1,2,5-oxadiazol-3-yl)methylamino]methyl]phenyl]methanol
CID 107230713
N-[1-(4-bromophenyl)-1-hydroxypropan-2-yl]-4-methyl-1,2,5-oxadiazole-3-carboxamide
CID 112362785
2-[(4-Methyl-1,2,5-oxadiazol-3-yl)methylamino]-2-phenylpropan-1-ol
CID 113236560
[4-[[(4-Methyl-1,2,5-oxadiazol-3-yl)methylamino]methyl]phenyl]methanol
CID 113933882
1-[1-(4-Bromophenyl)-3-hydroxy-2-methylpropan-2-yl]-3-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]urea
CID 166374588

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(4-bromophenyl)-2-[(4-methyl-1,2,5-oxadiazol-3-yl)methylamino]ethanol?
The IUPAC name of (1R)-1-(4-bromophenyl)-2-[(4-methyl-1,2,5-oxadiazol-3-yl)methylamino]ethanol (CID 138017520) is (1R)-1-(4-bromophenyl)-2-[(4-methyl-1,2,5-oxadiazol-3-yl)methylamino]ethanol.
What is the SMILES notation for (1R)-1-(4-bromophenyl)-2-[(4-methyl-1,2,5-oxadiazol-3-yl)methylamino]ethanol?
The canonical SMILES for (1R)-1-(4-bromophenyl)-2-[(4-methyl-1,2,5-oxadiazol-3-yl)methylamino]ethanol is Cc1nonc1CNC[C@H](O)c1ccc(Br)cc1.
What is the InChIKey of (1R)-1-(4-bromophenyl)-2-[(4-methyl-1,2,5-oxadiazol-3-yl)methylamino]ethanol?
The InChIKey is WPFGZHPQHPOMHI-LBPRGKRZSA-N. The full InChI is InChI=1S/C12H14BrN3O2/c1-8-11(16-18-15-8)6-14-7-12(17)9-2-4-10(13)5-3-9/h2-5,12,14,17H,6-7H2,1H3/t12-/m0/s1.
What are the key properties of (1R)-1-(4-bromophenyl)-2-[(4-methyl-1,2,5-oxadiazol-3-yl)methylamino]ethanol?
(1R)-1-(4-bromophenyl)-2-[(4-methyl-1,2,5-oxadiazol-3-yl)methylamino]ethanol has a molecular weight of 312.17 g/mol, XLogP of 1.96, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(4-bromophenyl)-2-[(4-methyl-1,2,5-oxadiazol-3-yl)methylamino]ethanol is sourced from PubChem (CID 138017520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).