2-fluoro-5-methoxy-1-N-[(3-methyl-1,2-oxazol-5-yl)methyl]benzene-1,4-diamine

C12H14FN3O2 — CID 107259085

IUPAC2-fluoro-5-methoxy-1-N-[(3-methyl-1,2-oxazol-5-yl)methyl]benzene-1,4-diamine
SMILESCOc1cc(NCc2cc(C)no2)c(F)cc1N
InChIInChI=1S/C12H14FN3O2/c1-7-3-8(18-16-7)6-15-11-5-12(17-2)10(14)4-9(11)13/h3-5,15H,6,14H2,1-2H3
InChIKeyXSNAUXBLWXDOOU-UHFFFAOYSA-N
MW251.26 g/mol
LogP2.33
Rot. Bonds4

About 2-fluoro-5-methoxy-1-N-[(3-methyl-1,2-oxazol-5-yl)methyl]benzene-1,4-diamine

2-fluoro-5-methoxy-1-N-[(3-methyl-1,2-oxazol-5-yl)methyl]benzene-1,4-diamine (PubChem CID 107259085) has the molecular formula C12H14FN3O2 and a molecular weight of 251.26 g/mol. Its IUPAC name is 2-fluoro-5-methoxy-1-N-[(3-methyl-1,2-oxazol-5-yl)methyl]benzene-1,4-diamine.

Molecular Properties

Compound Name2-fluoro-5-methoxy-1-N-[(3-methyl-1,2-oxazol-5-yl)methyl]benzene-1,4-diamine
PubChem CID107259085
Molecular FormulaC12H14FN3O2
Molecular Weight251.26 g/mol
Exact Mass251.11
IUPAC Name2-fluoro-5-methoxy-1-N-[(3-methyl-1,2-oxazol-5-yl)methyl]benzene-1,4-diamine
SMILESCOc1cc(NCc2cc(C)no2)c(F)cc1N
InChIInChI=1S/C12H14FN3O2/c1-7-3-8(18-16-7)6-15-11-5-12(17-2)10(14)4-9(11)13/h3-5,15H,6,14H2,1-2H3
InChIKeyXSNAUXBLWXDOOU-UHFFFAOYSA-N
XLogP2.33
TPSA73.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.26
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-fluoro-5-methoxy-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-4-nitroaniline
CID 103883309
2-fluoro-5-methoxy-1-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]benzene-1,4-diamine
CID 106393186
2-fluoro-1-N-[(4-fluorophenyl)methyl]-5-methoxybenzene-1,4-diamine
CID 107258646
4-fluoro-2-N-[(3-methyl-1,2-oxazol-5-yl)methyl]benzene-1,2-diamine
CID 62376804
1-N-benzyl-2-fluoro-5-methoxybenzene-1,4-diamine
CID 107258625
2-fluoro-5-methoxy-1-N-[(2-methoxyphenyl)methyl]benzene-1,4-diamine
CID 107258624
1-N-[(4-chlorophenyl)methyl]-2-fluoro-5-methoxybenzene-1,4-diamine
CID 107258604
1-N-tert-butyl-2-fluoro-5-methoxybenzene-1,4-diamine
CID 107258668
1-N-[(3-chlorophenyl)methyl]-2-fluoro-5-methoxybenzene-1,4-diamine
CID 107259169
4-bromo-2-N-[(3-methyl-1,2-oxazol-5-yl)methyl]benzene-1,2-diamine
CID 65342229
4-(4-amino-2-fluoro-5-methoxyanilino)butan-2-ol
CID 107259327
6-methoxy-2-N-[(3-methyl-1,2-oxazol-5-yl)methyl]pyridine-2,3-diamine
CID 113286515

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-5-methoxy-1-N-[(3-methyl-1,2-oxazol-5-yl)methyl]benzene-1,4-diamine?
The IUPAC name of 2-fluoro-5-methoxy-1-N-[(3-methyl-1,2-oxazol-5-yl)methyl]benzene-1,4-diamine (CID 107259085) is 2-fluoro-5-methoxy-1-N-[(3-methyl-1,2-oxazol-5-yl)methyl]benzene-1,4-diamine.
What is the SMILES notation for 2-fluoro-5-methoxy-1-N-[(3-methyl-1,2-oxazol-5-yl)methyl]benzene-1,4-diamine?
The canonical SMILES for 2-fluoro-5-methoxy-1-N-[(3-methyl-1,2-oxazol-5-yl)methyl]benzene-1,4-diamine is COc1cc(NCc2cc(C)no2)c(F)cc1N.
What is the InChIKey of 2-fluoro-5-methoxy-1-N-[(3-methyl-1,2-oxazol-5-yl)methyl]benzene-1,4-diamine?
The InChIKey is XSNAUXBLWXDOOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FN3O2/c1-7-3-8(18-16-7)6-15-11-5-12(17-2)10(14)4-9(11)13/h3-5,15H,6,14H2,1-2H3.
What are the key properties of 2-fluoro-5-methoxy-1-N-[(3-methyl-1,2-oxazol-5-yl)methyl]benzene-1,4-diamine?
2-fluoro-5-methoxy-1-N-[(3-methyl-1,2-oxazol-5-yl)methyl]benzene-1,4-diamine has a molecular weight of 251.26 g/mol, XLogP of 2.33, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-5-methoxy-1-N-[(3-methyl-1,2-oxazol-5-yl)methyl]benzene-1,4-diamine is sourced from PubChem (CID 107259085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).