[2-amino-4-[(2-amino-1,3-oxazol-4-yl)methoxy]-5-fluorophenyl]methylideneazanium

C11H12FN4O2+ — CID 171644766

IUPAC[2-amino-4-[(2-amino-1,3-oxazol-4-yl)methoxy]-5-fluorophenyl]methylideneazanium
SMILESNc1nc(COc2cc(N)c(C=[NH2+])cc2F)co1
InChIInChI=1S/C11H11FN4O2/c12-8-1-6(3-13)9(14)2-10(8)17-4-7-5-18-11(15)16-7/h1-3,5,13H,4,14H2,(H2,15,16)/p+1
InChIKeyAMTKNGGVQCHREM-UHFFFAOYSA-O
MW251.24 g/mol
LogP-0.26
Rot. Bonds4

About [2-amino-4-[(2-amino-1,3-oxazol-4-yl)methoxy]-5-fluorophenyl]methylideneazanium

[2-amino-4-[(2-amino-1,3-oxazol-4-yl)methoxy]-5-fluorophenyl]methylideneazanium (PubChem CID 171644766) has the molecular formula C11H12FN4O2+ and a molecular weight of 251.24 g/mol. Its IUPAC name is [2-amino-4-[(2-amino-1,3-oxazol-4-yl)methoxy]-5-fluorophenyl]methylideneazanium.

Molecular Properties

Compound Name[2-amino-4-[(2-amino-1,3-oxazol-4-yl)methoxy]-5-fluorophenyl]methylideneazanium
PubChem CID171644766
Molecular FormulaC11H12FN4O2+
Molecular Weight251.24 g/mol
Exact Mass251.09
IUPAC Name[2-amino-4-[(2-amino-1,3-oxazol-4-yl)methoxy]-5-fluorophenyl]methylideneazanium
SMILESNc1nc(COc2cc(N)c(C=[NH2+])cc2F)co1
InChIInChI=1S/C11H11FN4O2/c12-8-1-6(3-13)9(14)2-10(8)17-4-7-5-18-11(15)16-7/h1-3,5,13H,4,14H2,(H2,15,16)/p+1
InChIKeyAMTKNGGVQCHREM-UHFFFAOYSA-O
XLogP-0.26
TPSA112.89 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.24
LogP ≤ 5-0.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

[2-amino-5-chloro-4-[(5-fluoro-2-pyridinyl)methoxy]phenyl]methylideneazanium
CID 171644791
4-[(2-methoxyphenoxy)methyl]-1,3-oxazol-2-amine
CID 117190945
4-[(2-bromophenoxy)methyl]-1,3-oxazol-2-amine
CID 117190937
[2-amino-5-cyano-4-[(5-methyl-1,2-oxazol-3-yl)methoxy]phenyl]methylideneazanium
CID 171644745
4-[(2-fluorophenoxy)methyl]-2-methyl-1,3-oxazole
CID 117190932
4-[(4-bromo-2-fluorophenoxy)methyl]-2-thiophen-2-yl-1,3-oxazole
CID 7695771
2,5-difluoro-4-(pyridin-4-ylmethoxy)aniline
CID 63598643
4-[(2-fluorophenoxy)methyl]-2-phenyl-1,3-oxazole
CID 78767820
5-[(2,6-difluorophenyl)methoxy]-2,4-difluoroaniline
CID 58022350
4-[(4,5-dimethyl-1,2,4-triazol-3-yl)methoxy]-2,5-difluoroaniline
CID 55217994
3-[(2,4-difluorophenoxy)methyl]-1,2-oxazol-5-amine
CID 82080942
4-[(2,4-difluorophenoxy)methyl]-1,3-thiazol-2-amine
CID 43137897

Frequently Asked Questions

What is the IUPAC name of [2-amino-4-[(2-amino-1,3-oxazol-4-yl)methoxy]-5-fluorophenyl]methylideneazanium?
The IUPAC name of [2-amino-4-[(2-amino-1,3-oxazol-4-yl)methoxy]-5-fluorophenyl]methylideneazanium (CID 171644766) is [2-amino-4-[(2-amino-1,3-oxazol-4-yl)methoxy]-5-fluorophenyl]methylideneazanium.
What is the SMILES notation for [2-amino-4-[(2-amino-1,3-oxazol-4-yl)methoxy]-5-fluorophenyl]methylideneazanium?
The canonical SMILES for [2-amino-4-[(2-amino-1,3-oxazol-4-yl)methoxy]-5-fluorophenyl]methylideneazanium is Nc1nc(COc2cc(N)c(C=[NH2+])cc2F)co1.
What is the InChIKey of [2-amino-4-[(2-amino-1,3-oxazol-4-yl)methoxy]-5-fluorophenyl]methylideneazanium?
The InChIKey is AMTKNGGVQCHREM-UHFFFAOYSA-O. The full InChI is InChI=1S/C11H11FN4O2/c12-8-1-6(3-13)9(14)2-10(8)17-4-7-5-18-11(15)16-7/h1-3,5,13H,4,14H2,(H2,15,16)/p+1.
What are the key properties of [2-amino-4-[(2-amino-1,3-oxazol-4-yl)methoxy]-5-fluorophenyl]methylideneazanium?
[2-amino-4-[(2-amino-1,3-oxazol-4-yl)methoxy]-5-fluorophenyl]methylideneazanium has a molecular weight of 251.24 g/mol, XLogP of -0.26, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-amino-4-[(2-amino-1,3-oxazol-4-yl)methoxy]-5-fluorophenyl]methylideneazanium is sourced from PubChem (CID 171644766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).