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

C14H16BrN3O2 — CID 82725575

IUPACN-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl]-2-methyloxolan-3-amine
SMILESCC1OCCC1NCc1nnc(-c2ccccc2Br)o1
InChIInChI=1S/C14H16BrN3O2/c1-9-12(6-7-19-9)16-8-13-17-18-14(20-13)10-4-2-3-5-11(10)15/h2-5,9,12,16H,6-8H2,1H3
InChIKeyVPIVRVGYWMVLQN-UHFFFAOYSA-N
MW338.21 g/mol
LogP2.77
Rot. Bonds4

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

N-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl]-2-methyloxolan-3-amine (PubChem CID 82725575) has the molecular formula C14H16BrN3O2 and a molecular weight of 338.21 g/mol. Its IUPAC name is N-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl]-2-methyloxolan-3-amine.

Molecular Properties

Compound NameN-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl]-2-methyloxolan-3-amine
PubChem CID82725575
Molecular FormulaC14H16BrN3O2
Molecular Weight338.21 g/mol
Exact Mass337.04
IUPAC NameN-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl]-2-methyloxolan-3-amine
SMILESCC1OCCC1NCc1nnc(-c2ccccc2Br)o1
InChIInChI=1S/C14H16BrN3O2/c1-9-12(6-7-19-9)16-8-13-17-18-14(20-13)10-4-2-3-5-11(10)15/h2-5,9,12,16H,6-8H2,1H3
InChIKeyVPIVRVGYWMVLQN-UHFFFAOYSA-N
XLogP2.77
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.21
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl]-2-methyloxolan-3-amine?
The IUPAC name of N-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl]-2-methyloxolan-3-amine (CID 82725575) is N-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl]-2-methyloxolan-3-amine.
What is the SMILES notation for N-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl]-2-methyloxolan-3-amine?
The canonical SMILES for N-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl]-2-methyloxolan-3-amine is CC1OCCC1NCc1nnc(-c2ccccc2Br)o1.
What is the InChIKey of N-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl]-2-methyloxolan-3-amine?
The InChIKey is VPIVRVGYWMVLQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrN3O2/c1-9-12(6-7-19-9)16-8-13-17-18-14(20-13)10-4-2-3-5-11(10)15/h2-5,9,12,16H,6-8H2,1H3.
What are the key properties of N-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl]-2-methyloxolan-3-amine?
N-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl]-2-methyloxolan-3-amine has a molecular weight of 338.21 g/mol, XLogP of 2.77, 4 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]-2-methyloxolan-3-amine is sourced from PubChem (CID 82725575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).