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

C15H20BrN3O2 — CID 106292907

IUPAC1-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]methylamino]-2-methylpentan-2-ol
SMILESCCCC(C)(O)CNCc1nnc(-c2ccccc2Br)o1
InChIInChI=1S/C15H20BrN3O2/c1-3-8-15(2,20)10-17-9-13-18-19-14(21-13)11-6-4-5-7-12(11)16/h4-7,17,20H,3,8-10H2,1-2H3
InChIKeySMIITMKXNQVBKL-UHFFFAOYSA-N
MW354.25 g/mol
LogP3.14
Rot. Bonds7

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

1-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]methylamino]-2-methylpentan-2-ol (PubChem CID 106292907) has the molecular formula C15H20BrN3O2 and a molecular weight of 354.25 g/mol. Its IUPAC name is 1-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]methylamino]-2-methylpentan-2-ol.

Molecular Properties

Compound Name1-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]methylamino]-2-methylpentan-2-ol
PubChem CID106292907
Molecular FormulaC15H20BrN3O2
Molecular Weight354.25 g/mol
Exact Mass353.07
IUPAC Name1-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]methylamino]-2-methylpentan-2-ol
SMILESCCCC(C)(O)CNCc1nnc(-c2ccccc2Br)o1
InChIInChI=1S/C15H20BrN3O2/c1-3-8-15(2,20)10-17-9-13-18-19-14(21-13)11-6-4-5-7-12(11)16/h4-7,17,20H,3,8-10H2,1-2H3
InChIKeySMIITMKXNQVBKL-UHFFFAOYSA-N
XLogP3.14
TPSA71.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.25
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]methylamino]-2-methylbutan-2-ol
CID 65106277
ethyl 2-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]methylamino]propanoate
CID 61499088
N-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl]pent-3-yn-1-amine
CID 116643795
N-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl]-1-(oxan-4-yl)methanamine
CID 63711321
N-[[5-(2-methylsulfanylphenyl)-1,3,4-oxadiazol-2-yl]methyl]ethanamine
CID 79206848
N-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl]-1-pyridazin-3-ylmethanamine
CID 106895821
N-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl]-2-chloroaniline
CID 43236759
N-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl]-1-(thiolan-3-yl)methanamine
CID 107295824
1-[3-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]methylamino]phenyl]ethanone
CID 99624007
2-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl-butylamino]ethanol
CID 60689002
N-[[5-(2-bromo-4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]ethanamine
CID 62137552
N-[[5-(2-bromo-5-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]ethanamine
CID 114026372

Frequently Asked Questions

What is the IUPAC name of 1-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]methylamino]-2-methylpentan-2-ol?
The IUPAC name of 1-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]methylamino]-2-methylpentan-2-ol (CID 106292907) is 1-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]methylamino]-2-methylpentan-2-ol.
What is the SMILES notation for 1-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]methylamino]-2-methylpentan-2-ol?
The canonical SMILES for 1-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]methylamino]-2-methylpentan-2-ol is CCCC(C)(O)CNCc1nnc(-c2ccccc2Br)o1.
What is the InChIKey of 1-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]methylamino]-2-methylpentan-2-ol?
The InChIKey is SMIITMKXNQVBKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrN3O2/c1-3-8-15(2,20)10-17-9-13-18-19-14(21-13)11-6-4-5-7-12(11)16/h4-7,17,20H,3,8-10H2,1-2H3.
What are the key properties of 1-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]methylamino]-2-methylpentan-2-ol?
1-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]methylamino]-2-methylpentan-2-ol has a molecular weight of 354.25 g/mol, XLogP of 3.14, 7 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-methylpentan-2-ol is sourced from PubChem (CID 106292907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).