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

C14H18BrN3O2 — CID 65106277

IUPAC1-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]methylamino]-2-methylbutan-2-ol
SMILESCCC(C)(O)CNCc1nnc(-c2ccccc2Br)o1
InChIInChI=1S/C14H18BrN3O2/c1-3-14(2,19)9-16-8-12-17-18-13(20-12)10-6-4-5-7-11(10)15/h4-7,16,19H,3,8-9H2,1-2H3
InChIKeyMRXILOSBJXGUJW-UHFFFAOYSA-N
MW340.22 g/mol
LogP2.75
Rot. Bonds6

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

1-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]methylamino]-2-methylbutan-2-ol (PubChem CID 65106277) has the molecular formula C14H18BrN3O2 and a molecular weight of 340.22 g/mol. Its IUPAC name is 1-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]methylamino]-2-methylbutan-2-ol.

Molecular Properties

Compound Name1-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]methylamino]-2-methylbutan-2-ol
PubChem CID65106277
Molecular FormulaC14H18BrN3O2
Molecular Weight340.22 g/mol
Exact Mass339.06
IUPAC Name1-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]methylamino]-2-methylbutan-2-ol
SMILESCCC(C)(O)CNCc1nnc(-c2ccccc2Br)o1
InChIInChI=1S/C14H18BrN3O2/c1-3-14(2,19)9-16-8-12-17-18-13(20-12)10-6-4-5-7-11(10)15/h4-7,16,19H,3,8-9H2,1-2H3
InChIKeyMRXILOSBJXGUJW-UHFFFAOYSA-N
XLogP2.75
TPSA71.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.22
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]methylamino]-2-methylbutan-2-ol?
The IUPAC name of 1-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]methylamino]-2-methylbutan-2-ol (CID 65106277) is 1-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]methylamino]-2-methylbutan-2-ol.
What is the SMILES notation for 1-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]methylamino]-2-methylbutan-2-ol?
The canonical SMILES for 1-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]methylamino]-2-methylbutan-2-ol is CCC(C)(O)CNCc1nnc(-c2ccccc2Br)o1.
What is the InChIKey of 1-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]methylamino]-2-methylbutan-2-ol?
The InChIKey is MRXILOSBJXGUJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrN3O2/c1-3-14(2,19)9-16-8-12-17-18-13(20-12)10-6-4-5-7-11(10)15/h4-7,16,19H,3,8-9H2,1-2H3.
What are the key properties of 1-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]methylamino]-2-methylbutan-2-ol?
1-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]methylamino]-2-methylbutan-2-ol has a molecular weight of 340.22 g/mol, XLogP of 2.75, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]methylamino]-2-methylbutan-2-ol is sourced from PubChem (CID 65106277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).