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

C14H18FN3O2 — CID 63591922

IUPAC4-fluoro-1-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-propan-2-yloxybenzene-1,2-diamine
SMILESCc1cc(CNc2cc(OC(C)C)c(F)cc2N)no1
InChIInChI=1S/C14H18FN3O2/c1-8(2)19-14-6-13(12(16)5-11(14)15)17-7-10-4-9(3)20-18-10/h4-6,8,17H,7,16H2,1-3H3
InChIKeyRPGINMGOQRVKLO-UHFFFAOYSA-N
MW279.31 g/mol
LogP3.10
Rot. Bonds5

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

4-fluoro-1-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-propan-2-yloxybenzene-1,2-diamine (PubChem CID 63591922) 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-propan-2-yloxybenzene-1,2-diamine.

Molecular Properties

Compound Name4-fluoro-1-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-propan-2-yloxybenzene-1,2-diamine
PubChem CID63591922
Molecular FormulaC14H18FN3O2
Molecular Weight279.31 g/mol
Exact Mass279.14
IUPAC Name4-fluoro-1-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-propan-2-yloxybenzene-1,2-diamine
SMILESCc1cc(CNc2cc(OC(C)C)c(F)cc2N)no1
InChIInChI=1S/C14H18FN3O2/c1-8(2)19-14-6-13(12(16)5-11(14)15)17-7-10-4-9(3)20-18-10/h4-6,8,17H,7,16H2,1-3H3
InChIKeyRPGINMGOQRVKLO-UHFFFAOYSA-N
XLogP3.10
TPSA73.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.31
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 4-fluoro-1-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-propan-2-yloxybenzene-1,2-diamine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-1-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-propan-2-yloxybenzene-1,2-diamine?
The IUPAC name of 4-fluoro-1-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-propan-2-yloxybenzene-1,2-diamine (CID 63591922) is 4-fluoro-1-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-propan-2-yloxybenzene-1,2-diamine.
What is the SMILES notation for 4-fluoro-1-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-propan-2-yloxybenzene-1,2-diamine?
The canonical SMILES for 4-fluoro-1-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-propan-2-yloxybenzene-1,2-diamine is Cc1cc(CNc2cc(OC(C)C)c(F)cc2N)no1.
What is the InChIKey of 4-fluoro-1-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-propan-2-yloxybenzene-1,2-diamine?
The InChIKey is RPGINMGOQRVKLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FN3O2/c1-8(2)19-14-6-13(12(16)5-11(14)15)17-7-10-4-9(3)20-18-10/h4-6,8,17H,7,16H2,1-3H3.
What are the key properties of 4-fluoro-1-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-propan-2-yloxybenzene-1,2-diamine?
4-fluoro-1-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-propan-2-yloxybenzene-1,2-diamine has a molecular weight of 279.31 g/mol, XLogP of 3.10, 5 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-propan-2-yloxybenzene-1,2-diamine is sourced from PubChem (CID 63591922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).