1-[5-(2-chloro-6-fluorophenyl)-1,3,4-oxadiazol-2-yl]-N-methylmethanamine

C10H9ClFN3O — CID 62137362

IUPAC1-[5-(2-chloro-6-fluorophenyl)-1,3,4-oxadiazol-2-yl]-N-methylmethanamine
SMILESCNCc1nnc(-c2c(F)cccc2Cl)o1
InChIInChI=1S/C10H9ClFN3O/c1-13-5-8-14-15-10(16-8)9-6(11)3-2-4-7(9)12/h2-4,13H,5H2,1H3
InChIKeyPFNBDPPWRBWPCH-UHFFFAOYSA-N
MW241.65 g/mol
LogP2.25
Rot. Bonds3

About 1-[5-(2-chloro-6-fluorophenyl)-1,3,4-oxadiazol-2-yl]-N-methylmethanamine

1-[5-(2-chloro-6-fluorophenyl)-1,3,4-oxadiazol-2-yl]-N-methylmethanamine (PubChem CID 62137362) has the molecular formula C10H9ClFN3O and a molecular weight of 241.65 g/mol. Its IUPAC name is 1-[5-(2-chloro-6-fluorophenyl)-1,3,4-oxadiazol-2-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[5-(2-chloro-6-fluorophenyl)-1,3,4-oxadiazol-2-yl]-N-methylmethanamine
PubChem CID62137362
Molecular FormulaC10H9ClFN3O
Molecular Weight241.65 g/mol
Exact Mass241.04
IUPAC Name1-[5-(2-chloro-6-fluorophenyl)-1,3,4-oxadiazol-2-yl]-N-methylmethanamine
SMILESCNCc1nnc(-c2c(F)cccc2Cl)o1
InChIInChI=1S/C10H9ClFN3O/c1-13-5-8-14-15-10(16-8)9-6(11)3-2-4-7(9)12/h2-4,13H,5H2,1H3
InChIKeyPFNBDPPWRBWPCH-UHFFFAOYSA-N
XLogP2.25
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.65
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-chloro-6-fluorophenyl)-5-ethyl-1,3,4-oxadiazole
CID 71563526
1-[5-(2-chloro-6-fluorophenyl)-1,3-oxazol-2-yl]-N-methylmethanamine
CID 65178721
2-[5-(2,6-difluorophenyl)-1,3,4-oxadiazol-2-yl]-N-methylethanamine
CID 62162897
3-[5-(2,6-dichlorophenyl)-1,3,4-oxadiazol-2-yl]-N-methylpropan-1-amine
CID 62139447
4-[5-(2-chloro-6-fluorophenyl)-1,3,4-oxadiazol-2-yl]-3-methylbutanoic acid
CID 62965353
1-[5-(2,6-difluoro-3-nitrophenyl)-1,3,4-oxadiazol-2-yl]-N-methylmethanamine
CID 79773488
N-methyl-1-[5-(6-methyl-2-pyridinyl)-1,3,4-oxadiazol-2-yl]methanamine
CID 62137188
1-[5-(5-chlorofuran-2-yl)-1,3,4-oxadiazol-2-yl]-N-methylmethanamine
CID 106689586
1-[5-(3-chlorothiophen-2-yl)-1,3,4-oxadiazol-2-yl]-N-methylmethanamine
CID 80641183
N-(2-fluorophenyl)-5-(methylaminomethyl)-1,3,4-oxadiazol-2-amine
CID 106968128
1-[5-(3-chloro-4-iodophenyl)-1,3,4-oxadiazol-2-yl]-N-methylmethanamine
CID 103211960
N-[[5-(2-chloro-3-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]propan-1-amine
CID 81461380

Frequently Asked Questions

What is the IUPAC name of 1-[5-(2-chloro-6-fluorophenyl)-1,3,4-oxadiazol-2-yl]-N-methylmethanamine?
The IUPAC name of 1-[5-(2-chloro-6-fluorophenyl)-1,3,4-oxadiazol-2-yl]-N-methylmethanamine (CID 62137362) is 1-[5-(2-chloro-6-fluorophenyl)-1,3,4-oxadiazol-2-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[5-(2-chloro-6-fluorophenyl)-1,3,4-oxadiazol-2-yl]-N-methylmethanamine?
The canonical SMILES for 1-[5-(2-chloro-6-fluorophenyl)-1,3,4-oxadiazol-2-yl]-N-methylmethanamine is CNCc1nnc(-c2c(F)cccc2Cl)o1.
What is the InChIKey of 1-[5-(2-chloro-6-fluorophenyl)-1,3,4-oxadiazol-2-yl]-N-methylmethanamine?
The InChIKey is PFNBDPPWRBWPCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClFN3O/c1-13-5-8-14-15-10(16-8)9-6(11)3-2-4-7(9)12/h2-4,13H,5H2,1H3.
What are the key properties of 1-[5-(2-chloro-6-fluorophenyl)-1,3,4-oxadiazol-2-yl]-N-methylmethanamine?
1-[5-(2-chloro-6-fluorophenyl)-1,3,4-oxadiazol-2-yl]-N-methylmethanamine has a molecular weight of 241.65 g/mol, XLogP of 2.25, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(2-chloro-6-fluorophenyl)-1,3,4-oxadiazol-2-yl]-N-methylmethanamine is sourced from PubChem (CID 62137362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).