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

C14H18FN3O2 — CID 63591921

IUPAC4-fluoro-1-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-propoxybenzene-1,2-diamine
SMILESCCCOc1cc(NCc2cc(C)on2)c(N)cc1F
InChIInChI=1S/C14H18FN3O2/c1-3-4-19-14-7-13(12(16)6-11(14)15)17-8-10-5-9(2)20-18-10/h5-7,17H,3-4,8,16H2,1-2H3
InChIKeyIMCOHTZSSDJXQL-UHFFFAOYSA-N
MW279.31 g/mol
LogP3.11
Rot. Bonds6

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

4-fluoro-1-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-propoxybenzene-1,2-diamine (PubChem CID 63591921) has the molecular formula C14H18FN3O2 and a molecular weight of 279.31 g/mol. Its IUPAC name is 4-fluoro-1-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-propoxybenzene-1,2-diamine.

Molecular Properties

Compound Name4-fluoro-1-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-propoxybenzene-1,2-diamine
PubChem CID63591921
Molecular FormulaC14H18FN3O2
Molecular Weight279.31 g/mol
Exact Mass279.14
IUPAC Name4-fluoro-1-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-propoxybenzene-1,2-diamine
SMILESCCCOc1cc(NCc2cc(C)on2)c(N)cc1F
InChIInChI=1S/C14H18FN3O2/c1-3-4-19-14-7-13(12(16)6-11(14)15)17-8-10-5-9(2)20-18-10/h5-7,17H,3-4,8,16H2,1-2H3
InChIKeyIMCOHTZSSDJXQL-UHFFFAOYSA-N
XLogP3.11
TPSA73.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.31
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-1-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-propoxybenzene-1,2-diamine?
The IUPAC name of 4-fluoro-1-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-propoxybenzene-1,2-diamine (CID 63591921) is 4-fluoro-1-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-propoxybenzene-1,2-diamine.
What is the SMILES notation for 4-fluoro-1-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-propoxybenzene-1,2-diamine?
The canonical SMILES for 4-fluoro-1-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-propoxybenzene-1,2-diamine is CCCOc1cc(NCc2cc(C)on2)c(N)cc1F.
What is the InChIKey of 4-fluoro-1-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-propoxybenzene-1,2-diamine?
The InChIKey is IMCOHTZSSDJXQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FN3O2/c1-3-4-19-14-7-13(12(16)6-11(14)15)17-8-10-5-9(2)20-18-10/h5-7,17H,3-4,8,16H2,1-2H3.
What are the key properties of 4-fluoro-1-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-propoxybenzene-1,2-diamine?
4-fluoro-1-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-propoxybenzene-1,2-diamine has a molecular weight of 279.31 g/mol, XLogP of 3.11, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-1-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-propoxybenzene-1,2-diamine is sourced from PubChem (CID 63591921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).