N-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl]-1-(oxan-4-yl)methanamine

C15H18BrN3O2 — CID 63711321

IUPACN-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl]-1-(oxan-4-yl)methanamine
SMILESBrc1ccccc1-c1nnc(CNCC2CCOCC2)o1
InChIInChI=1S/C15H18BrN3O2/c16-13-4-2-1-3-12(13)15-19-18-14(21-15)10-17-9-11-5-7-20-8-6-11/h1-4,11,17H,5-10H2
InChIKeyCCIJIIOHSGLRGE-UHFFFAOYSA-N
MW352.23 g/mol
LogP3.02
Rot. Bonds5

About N-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl]-1-(oxan-4-yl)methanamine

N-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl]-1-(oxan-4-yl)methanamine (PubChem CID 63711321) has the molecular formula C15H18BrN3O2 and a molecular weight of 352.23 g/mol. Its IUPAC name is N-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl]-1-(oxan-4-yl)methanamine.

Molecular Properties

Compound NameN-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl]-1-(oxan-4-yl)methanamine
PubChem CID63711321
Molecular FormulaC15H18BrN3O2
Molecular Weight352.23 g/mol
Exact Mass351.06
IUPAC NameN-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl]-1-(oxan-4-yl)methanamine
SMILESBrc1ccccc1-c1nnc(CNCC2CCOCC2)o1
InChIInChI=1S/C15H18BrN3O2/c16-13-4-2-1-3-12(13)15-19-18-14(21-15)10-17-9-11-5-7-20-8-6-11/h1-4,11,17H,5-10H2
InChIKeyCCIJIIOHSGLRGE-UHFFFAOYSA-N
XLogP3.02
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.23
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[5-(2-Bromophenyl)-1,3,4-oxadiazol-2-yl]methyl]-4,5-dichloropyridazin-3-one
CID 2530952
3-[[5-(2-Bromophenyl)-1,3,4-oxadiazol-2-yl]methyl]-5-(2-phenylethyl)imidazolidine-2,4-dione
CID 2999998
(r)-2-amino-N-((5-phenyl-1,3,4-oxadiazol-2-yl)methyl)propanamide
CID 132279660
2-amino-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]acetamide
CID 134155619
2,6-Dimethyl-4-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]morpholine;hydrochloride
CID 16192950
2-[[5-(2-Bromophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-morpholin-4-ylpropan-1-one
CID 17428490
1-{[5-(3-Bromophenyl)-1,3,4-oxadiazol-2-yl]methyl}-4-methylpiperidine
CID 22432395
N-Methyl-1-(5-phenyl-1,3,4-oxadiazol-2-yl)methanamine
CID 594695
Ethyl 4-{[5-(3-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl}piperazine-1-carboxylate
CID 24761544
2-[[5-(2-Bromophenyl)-1,3,4-oxadiazol-2-yl]methyl]-3a,4,7,7a-tetrahydroisoindole-1,3-dione
CID 4690885
Ethyl 1-{[5-(3-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl}-4-piperidinecarboxylate
CID 22432396
N-[[5-(2-bromo-4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-1-piperidin-4-ylmethanamine
CID 145985207

Frequently Asked Questions

What is the IUPAC name of N-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl]-1-(oxan-4-yl)methanamine?
The IUPAC name of N-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl]-1-(oxan-4-yl)methanamine (CID 63711321) is N-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl]-1-(oxan-4-yl)methanamine.
What is the SMILES notation for N-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl]-1-(oxan-4-yl)methanamine?
The canonical SMILES for N-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl]-1-(oxan-4-yl)methanamine is Brc1ccccc1-c1nnc(CNCC2CCOCC2)o1.
What is the InChIKey of N-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl]-1-(oxan-4-yl)methanamine?
The InChIKey is CCIJIIOHSGLRGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrN3O2/c16-13-4-2-1-3-12(13)15-19-18-14(21-15)10-17-9-11-5-7-20-8-6-11/h1-4,11,17H,5-10H2.
What are the key properties of N-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl]-1-(oxan-4-yl)methanamine?
N-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl]-1-(oxan-4-yl)methanamine has a molecular weight of 352.23 g/mol, XLogP of 3.02, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl]-1-(oxan-4-yl)methanamine is sourced from PubChem (CID 63711321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).