1-[5-[(2,4-difluorophenoxy)methyl]-1,2-oxazol-3-yl]-N-methylmethanamine

C12H12F2N2O2 — CID 62450192

IUPAC1-[5-[(2,4-difluorophenoxy)methyl]-1,2-oxazol-3-yl]-N-methylmethanamine
SMILESCNCc1cc(COc2ccc(F)cc2F)on1
InChIInChI=1S/C12H12F2N2O2/c1-15-6-9-5-10(18-16-9)7-17-12-3-2-8(13)4-11(12)14/h2-5,15H,6-7H2,1H3
InChIKeyJFJYKCFYHKFLHM-UHFFFAOYSA-N
MW254.24 g/mol
LogP2.25
Rot. Bonds5

About 1-[5-[(2,4-difluorophenoxy)methyl]-1,2-oxazol-3-yl]-N-methylmethanamine

1-[5-[(2,4-difluorophenoxy)methyl]-1,2-oxazol-3-yl]-N-methylmethanamine (PubChem CID 62450192) has the molecular formula C12H12F2N2O2 and a molecular weight of 254.24 g/mol. Its IUPAC name is 1-[5-[(2,4-difluorophenoxy)methyl]-1,2-oxazol-3-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[5-[(2,4-difluorophenoxy)methyl]-1,2-oxazol-3-yl]-N-methylmethanamine
PubChem CID62450192
Molecular FormulaC12H12F2N2O2
Molecular Weight254.24 g/mol
Exact Mass254.09
IUPAC Name1-[5-[(2,4-difluorophenoxy)methyl]-1,2-oxazol-3-yl]-N-methylmethanamine
SMILESCNCc1cc(COc2ccc(F)cc2F)on1
InChIInChI=1S/C12H12F2N2O2/c1-15-6-9-5-10(18-16-9)7-17-12-3-2-8(13)4-11(12)14/h2-5,15H,6-7H2,1H3
InChIKeyJFJYKCFYHKFLHM-UHFFFAOYSA-N
XLogP2.25
TPSA47.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.24
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[5-[(2,4-difluorophenoxy)methyl]-1,2-oxazol-3-yl]-N-methylmethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-({5-[(2,4-Difluorophenoxy)methyl]-3-isoxazolyl}carbonyl)-4-(2-methoxyethoxy)piperidine
CID 24790110
Ethyl 4-({5-[(2,4-difluorophenoxy)methyl]-3-isoxazolyl}carbonyl)-1-piperazinecarboxylate
CID 24790335
1-({5-[(2,4-Difluorophenoxy)methyl]-3-isoxazolyl}carbonyl)-4-(2-methoxyethyl)piperazine
CID 24790342
5-[(3,4-difluorophenoxy)methyl]-N-methyl-N-(oxolan-3-yl)-1,2-oxazole-3-carboxamide
CID 24790480
1-Cyclohexyl-4-({5-[(2,6-difluorophenoxy)methyl]-3-isoxazolyl}carbonyl)piperazine
CID 24790834
4-({5-[(3,4-Difluorophenoxy)methyl]-3-isoxazolyl}carbonyl)morpholine
CID 24790853
5-[(2,6-difluorophenoxy)methyl]-N-methyl-N-(2-phenoxyethyl)-3-isoxazolecarboxamide
CID 24793004
5-[(2,6-difluorophenoxy)methyl]-N-[2-(1-piperidinyl)ethyl]-3-isoxazolecarboxamide
CID 24794141
5-[(2,6-difluorophenoxy)methyl]-N-methyl-N-(tetrahydro-3-furanyl)-3-isoxazolecarboxamide
CID 24794232
5-[(2,6-difluorophenoxy)methyl]-N-methyl-N-[2-(tetrahydro-2H-pyran-4-yl)ethyl]-3-isoxazolecarboxamide
CID 24817827
(3S)-4-({5-[(3,4-difluorophenoxy)methyl]-3-isoxazolyl}carbonyl)-1-ethyl-3-methyl-2-piperazinone
CID 42217297
N-(2,4-difluorobenzyl)-5-[(2,6-difluorophenoxy)methyl]-3-isoxazolecarboxamide
CID 16191510

Frequently Asked Questions

What is the IUPAC name of 1-[5-[(2,4-difluorophenoxy)methyl]-1,2-oxazol-3-yl]-N-methylmethanamine?
The IUPAC name of 1-[5-[(2,4-difluorophenoxy)methyl]-1,2-oxazol-3-yl]-N-methylmethanamine (CID 62450192) is 1-[5-[(2,4-difluorophenoxy)methyl]-1,2-oxazol-3-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[5-[(2,4-difluorophenoxy)methyl]-1,2-oxazol-3-yl]-N-methylmethanamine?
The canonical SMILES for 1-[5-[(2,4-difluorophenoxy)methyl]-1,2-oxazol-3-yl]-N-methylmethanamine is CNCc1cc(COc2ccc(F)cc2F)on1.
What is the InChIKey of 1-[5-[(2,4-difluorophenoxy)methyl]-1,2-oxazol-3-yl]-N-methylmethanamine?
The InChIKey is JFJYKCFYHKFLHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F2N2O2/c1-15-6-9-5-10(18-16-9)7-17-12-3-2-8(13)4-11(12)14/h2-5,15H,6-7H2,1H3.
What are the key properties of 1-[5-[(2,4-difluorophenoxy)methyl]-1,2-oxazol-3-yl]-N-methylmethanamine?
1-[5-[(2,4-difluorophenoxy)methyl]-1,2-oxazol-3-yl]-N-methylmethanamine has a molecular weight of 254.24 g/mol, XLogP of 2.25, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[(2,4-difluorophenoxy)methyl]-1,2-oxazol-3-yl]-N-methylmethanamine is sourced from PubChem (CID 62450192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).