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

C14H16BrN3O2 — CID 61068997

IUPAC2-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl-cyclopropylamino]ethanol
SMILESOCCN(Cc1nnc(-c2ccccc2Br)o1)C1CC1
InChIInChI=1S/C14H16BrN3O2/c15-12-4-2-1-3-11(12)14-17-16-13(20-14)9-18(7-8-19)10-5-6-10/h1-4,10,19H,5-9H2
InChIKeyVVMFHIMFTCBVLE-UHFFFAOYSA-N
MW338.20 g/mol
LogP2.46
Rot. Bonds6

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

2-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl-cyclopropylamino]ethanol (PubChem CID 61068997) has the molecular formula C14H16BrN3O2 and a molecular weight of 338.20 g/mol. Its IUPAC name is 2-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl-cyclopropylamino]ethanol.

Molecular Properties

Compound Name2-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl-cyclopropylamino]ethanol
PubChem CID61068997
Molecular FormulaC14H16BrN3O2
Molecular Weight338.20 g/mol
Exact Mass337.04
IUPAC Name2-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl-cyclopropylamino]ethanol
SMILESOCCN(Cc1nnc(-c2ccccc2Br)o1)C1CC1
InChIInChI=1S/C14H16BrN3O2/c15-12-4-2-1-3-11(12)14-17-16-13(20-14)9-18(7-8-19)10-5-6-10/h1-4,10,19H,5-9H2
InChIKeyVVMFHIMFTCBVLE-UHFFFAOYSA-N
XLogP2.46
TPSA62.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.20
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

2-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl-butylamino]ethanol
CID 60689002
2-[[5-(5-bromothiophen-2-yl)-1,3,4-oxadiazol-2-yl]methyl-cyclopentylamino]ethanol
CID 62013889
N-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-cyclopropylnaphthalene-2-carboxamide
CID 17436001
2-[cyclobutyl-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]amino]ethanol
CID 102676985
(1R)-N-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl]-1-cyclopropyl-N-methylethanamine
CID 94819411
N-[(3-bromophenyl)methyl]-N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]cyclopropanamine
CID 34553052
N-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-cyclopropyl-2-ethoxypyridine-3-carboxamide
CID 26905518
2-[1,3-benzoxazol-2-ylmethyl(cyclopropyl)amino]ethanol
CID 60967481
N-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl]-1-(oxan-4-yl)methanamine
CID 63711321
2-[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]ethanethiol
CID 82160241
N-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-methyl-2-phenoxyethanamine
CID 31319686
N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-[[(3R)-oxolan-3-yl]methyl]cyclopropanamine
CID 94828168

Frequently Asked Questions

What is the IUPAC name of 2-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl-cyclopropylamino]ethanol?
The IUPAC name of 2-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl-cyclopropylamino]ethanol (CID 61068997) is 2-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl-cyclopropylamino]ethanol.
What is the SMILES notation for 2-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl-cyclopropylamino]ethanol?
The canonical SMILES for 2-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl-cyclopropylamino]ethanol is OCCN(Cc1nnc(-c2ccccc2Br)o1)C1CC1.
What is the InChIKey of 2-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl-cyclopropylamino]ethanol?
The InChIKey is VVMFHIMFTCBVLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrN3O2/c15-12-4-2-1-3-11(12)14-17-16-13(20-14)9-18(7-8-19)10-5-6-10/h1-4,10,19H,5-9H2.
What are the key properties of 2-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl-cyclopropylamino]ethanol?
2-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl-cyclopropylamino]ethanol has a molecular weight of 338.20 g/mol, XLogP of 2.46, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl-cyclopropylamino]ethanol is sourced from PubChem (CID 61068997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).