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

C13H16FN3O2 — CID 106369939

IUPAC1-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-4-fluoro-5-methoxybenzene-1,2-diamine
SMILESCOc1cc(NCc2nc(C)c(C)o2)c(N)cc1F
InChIInChI=1S/C13H16FN3O2/c1-7-8(2)19-13(17-7)6-16-11-5-12(18-3)9(14)4-10(11)15/h4-5,16H,6,15H2,1-3H3
InChIKeyFURZHUUSVDRXIO-UHFFFAOYSA-N
MW265.29 g/mol
LogP2.63
Rot. Bonds4

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

1-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-4-fluoro-5-methoxybenzene-1,2-diamine (PubChem CID 106369939) has the molecular formula C13H16FN3O2 and a molecular weight of 265.29 g/mol. Its IUPAC name is 1-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-4-fluoro-5-methoxybenzene-1,2-diamine.

Molecular Properties

Compound Name1-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-4-fluoro-5-methoxybenzene-1,2-diamine
PubChem CID106369939
Molecular FormulaC13H16FN3O2
Molecular Weight265.29 g/mol
Exact Mass265.12
IUPAC Name1-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-4-fluoro-5-methoxybenzene-1,2-diamine
SMILESCOc1cc(NCc2nc(C)c(C)o2)c(N)cc1F
InChIInChI=1S/C13H16FN3O2/c1-7-8(2)19-13(17-7)6-16-11-5-12(18-3)9(14)4-10(11)15/h4-5,16H,6,15H2,1-3H3
InChIKeyFURZHUUSVDRXIO-UHFFFAOYSA-N
XLogP2.63
TPSA73.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.29
LogP ≤ 52.63
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

N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-fluoro-5-methoxy-4-nitroaniline
CID 106374048
4-fluoro-5-methoxy-1-N-[(2-methyl-1,3-thiazol-5-yl)methyl]benzene-1,2-diamine
CID 63597658
5-bromo-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-methoxyaniline
CID 54968321
1-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-4-(trifluoromethyl)benzene-1,2-diamine
CID 106369923
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-fluoro-5-methylaniline
CID 54882236
methyl 4-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]-3-methoxybenzoate
CID 99824042
1-N-[(2,4-difluorophenyl)methyl]-4-fluoro-5-methoxybenzene-1,2-diamine
CID 63597669
4-amino-3-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]benzonitrile
CID 106369993
3,6-dichloro-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]pyridazin-4-amine
CID 106374028
4-fluoro-5-methoxy-1-N-prop-2-enylbenzene-1,2-diamine
CID 63599083
4-fluoro-5-methoxy-1-N-(2-methoxy-2-methylpropyl)benzene-1,2-diamine
CID 104758804
1-N-(2,2-dimethylbutyl)-4-fluoro-5-methoxybenzene-1,2-diamine
CID 103460154

Frequently Asked Questions

What is the IUPAC name of 1-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-4-fluoro-5-methoxybenzene-1,2-diamine?
The IUPAC name of 1-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-4-fluoro-5-methoxybenzene-1,2-diamine (CID 106369939) is 1-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-4-fluoro-5-methoxybenzene-1,2-diamine.
What is the SMILES notation for 1-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-4-fluoro-5-methoxybenzene-1,2-diamine?
The canonical SMILES for 1-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-4-fluoro-5-methoxybenzene-1,2-diamine is COc1cc(NCc2nc(C)c(C)o2)c(N)cc1F.
What is the InChIKey of 1-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-4-fluoro-5-methoxybenzene-1,2-diamine?
The InChIKey is FURZHUUSVDRXIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FN3O2/c1-7-8(2)19-13(17-7)6-16-11-5-12(18-3)9(14)4-10(11)15/h4-5,16H,6,15H2,1-3H3.
What are the key properties of 1-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-4-fluoro-5-methoxybenzene-1,2-diamine?
1-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-4-fluoro-5-methoxybenzene-1,2-diamine has a molecular weight of 265.29 g/mol, XLogP of 2.63, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-4-fluoro-5-methoxybenzene-1,2-diamine is sourced from PubChem (CID 106369939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).