(1R)-N-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl]-1-cyclopropyl-N-methylethanamine

C15H18BrN3O — CID 94819411

IUPAC(1R)-N-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl]-1-cyclopropyl-N-methylethanamine
SMILESC[C@H](C1CC1)N(C)Cc1nnc(-c2ccccc2Br)o1
InChIInChI=1S/C15H18BrN3O/c1-10(11-7-8-11)19(2)9-14-17-18-15(20-14)12-5-3-4-6-13(12)16/h3-6,10-11H,7-9H2,1-2H3/t10-/m1/s1
InChIKeyXMGZOTNIVNOXIQ-SNVBAGLBSA-N
MW336.23 g/mol
LogP3.73
Rot. Bonds5

About (1R)-N-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl]-1-cyclopropyl-N-methylethanamine

(1R)-N-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl]-1-cyclopropyl-N-methylethanamine (PubChem CID 94819411) has the molecular formula C15H18BrN3O and a molecular weight of 336.23 g/mol. Its IUPAC name is (1R)-N-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl]-1-cyclopropyl-N-methylethanamine.

Molecular Properties

Compound Name(1R)-N-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl]-1-cyclopropyl-N-methylethanamine
PubChem CID94819411
Molecular FormulaC15H18BrN3O
Molecular Weight336.23 g/mol
Exact Mass335.06
IUPAC Name(1R)-N-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl]-1-cyclopropyl-N-methylethanamine
SMILESC[C@H](C1CC1)N(C)Cc1nnc(-c2ccccc2Br)o1
InChIInChI=1S/C15H18BrN3O/c1-10(11-7-8-11)19(2)9-14-17-18-15(20-14)12-5-3-4-6-13(12)16/h3-6,10-11H,7-9H2,1-2H3/t10-/m1/s1
InChIKeyXMGZOTNIVNOXIQ-SNVBAGLBSA-N
XLogP3.73
TPSA42.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.23
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (1R)-N-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl]-1-cyclopropyl-N-methylethanamine?
The IUPAC name of (1R)-N-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl]-1-cyclopropyl-N-methylethanamine (CID 94819411) is (1R)-N-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl]-1-cyclopropyl-N-methylethanamine.
What is the SMILES notation for (1R)-N-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl]-1-cyclopropyl-N-methylethanamine?
The canonical SMILES for (1R)-N-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl]-1-cyclopropyl-N-methylethanamine is C[C@H](C1CC1)N(C)Cc1nnc(-c2ccccc2Br)o1.
What is the InChIKey of (1R)-N-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl]-1-cyclopropyl-N-methylethanamine?
The InChIKey is XMGZOTNIVNOXIQ-SNVBAGLBSA-N. The full InChI is InChI=1S/C15H18BrN3O/c1-10(11-7-8-11)19(2)9-14-17-18-15(20-14)12-5-3-4-6-13(12)16/h3-6,10-11H,7-9H2,1-2H3/t10-/m1/s1.
What are the key properties of (1R)-N-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl]-1-cyclopropyl-N-methylethanamine?
(1R)-N-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl]-1-cyclopropyl-N-methylethanamine has a molecular weight of 336.23 g/mol, XLogP of 3.73, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-N-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl]-1-cyclopropyl-N-methylethanamine is sourced from PubChem (CID 94819411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).