1-(4,6-difluoro-1,2-benzoxazol-5-yl)-N-methylmethanamine

C9H8F2N2O — CID 84774753

IUPAC1-(4,6-difluoro-1,2-benzoxazol-5-yl)-N-methylmethanamine
SMILESCNCc1c(F)cc2oncc2c1F
InChIInChI=1S/C9H8F2N2O/c1-12-3-5-7(10)2-8-6(9(5)11)4-13-14-8/h2,4,12H,3H2,1H3
InChIKeyNZKBQXOOQKLWMW-UHFFFAOYSA-N
MW198.17 g/mol
LogP1.83
Rot. Bonds2

About 1-(4,6-difluoro-1,2-benzoxazol-5-yl)-N-methylmethanamine

1-(4,6-difluoro-1,2-benzoxazol-5-yl)-N-methylmethanamine (PubChem CID 84774753) has the molecular formula C9H8F2N2O and a molecular weight of 198.17 g/mol. Its IUPAC name is 1-(4,6-difluoro-1,2-benzoxazol-5-yl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(4,6-difluoro-1,2-benzoxazol-5-yl)-N-methylmethanamine
PubChem CID84774753
Molecular FormulaC9H8F2N2O
Molecular Weight198.17 g/mol
Exact Mass198.06
IUPAC Name1-(4,6-difluoro-1,2-benzoxazol-5-yl)-N-methylmethanamine
SMILESCNCc1c(F)cc2oncc2c1F
InChIInChI=1S/C9H8F2N2O/c1-12-3-5-7(10)2-8-6(9(5)11)4-13-14-8/h2,4,12H,3H2,1H3
InChIKeyNZKBQXOOQKLWMW-UHFFFAOYSA-N
XLogP1.83
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.17
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3,5-difluoro-2-(methylaminomethyl)phenol
CID 84766377
4-fluoro-1,2-benzoxazol-5-amine
CID 84649584
1-[5-(2,4-dichloro-5-fluorophenyl)-1,2-oxazol-4-yl]-N-methylmethanamine
CID 65239871
4-methyl-1,2-benzoxazole-6-carbonitrile
CID 130063899
3-chloro-5-fluoro-4-(methylaminomethyl)phenol
CID 84771305
3-bromo-5-fluoro-2-methoxy-6-(methylaminomethyl)phenol
CID 84711178
1-(6-fluoro-3-pyridinyl)-N-methylmethanamine;dihydrochloride
CID 162422933
N-methyl-1-(1,2-oxazol-5-yl)methanamine
CID 23006271
3-fluoro-5-methoxy-4-(methylaminomethyl)phenol
CID 84769612
1-[3,5-difluoro-4-(1,3-thiazol-5-ylmethoxy)phenyl]-N-methylmethanamine
CID 112640440
1-[3-fluoro-4-(1,2-oxazol-5-ylmethoxy)phenyl]-N-methylmethanamine
CID 107686603
1-[5-bromo-6-fluoro-3-(2-methylpropyl)-1-benzofuran-2-yl]-N-methylmethanamine
CID 114377601

Frequently Asked Questions

What is the IUPAC name of 1-(4,6-difluoro-1,2-benzoxazol-5-yl)-N-methylmethanamine?
The IUPAC name of 1-(4,6-difluoro-1,2-benzoxazol-5-yl)-N-methylmethanamine (CID 84774753) is 1-(4,6-difluoro-1,2-benzoxazol-5-yl)-N-methylmethanamine.
What is the SMILES notation for 1-(4,6-difluoro-1,2-benzoxazol-5-yl)-N-methylmethanamine?
The canonical SMILES for 1-(4,6-difluoro-1,2-benzoxazol-5-yl)-N-methylmethanamine is CNCc1c(F)cc2oncc2c1F.
What is the InChIKey of 1-(4,6-difluoro-1,2-benzoxazol-5-yl)-N-methylmethanamine?
The InChIKey is NZKBQXOOQKLWMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F2N2O/c1-12-3-5-7(10)2-8-6(9(5)11)4-13-14-8/h2,4,12H,3H2,1H3.
What are the key properties of 1-(4,6-difluoro-1,2-benzoxazol-5-yl)-N-methylmethanamine?
1-(4,6-difluoro-1,2-benzoxazol-5-yl)-N-methylmethanamine has a molecular weight of 198.17 g/mol, XLogP of 1.83, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,6-difluoro-1,2-benzoxazol-5-yl)-N-methylmethanamine is sourced from PubChem (CID 84774753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).