5-(4-fluoro-3-methylphenyl)-1,2-oxazol-3-amine

C10H9FN2O — CID 64983047

IUPAC5-(4-fluoro-3-methylphenyl)-1,2-oxazol-3-amine
SMILESCc1cc(-c2cc(N)no2)ccc1F
InChIInChI=1S/C10H9FN2O/c1-6-4-7(2-3-8(6)11)9-5-10(12)13-14-9/h2-5H,1H3,(H2,12,13)
InChIKeyQMFQCECKAVCIQV-UHFFFAOYSA-N
MW192.19 g/mol
LogP2.37
Rot. Bonds1

About 5-(4-fluoro-3-methylphenyl)-1,2-oxazol-3-amine

5-(4-fluoro-3-methylphenyl)-1,2-oxazol-3-amine (PubChem CID 64983047) has the molecular formula C10H9FN2O and a molecular weight of 192.19 g/mol. Its IUPAC name is 5-(4-fluoro-3-methylphenyl)-1,2-oxazol-3-amine.

Molecular Properties

Compound Name5-(4-fluoro-3-methylphenyl)-1,2-oxazol-3-amine
PubChem CID64983047
Molecular FormulaC10H9FN2O
Molecular Weight192.19 g/mol
Exact Mass192.07
IUPAC Name5-(4-fluoro-3-methylphenyl)-1,2-oxazol-3-amine
SMILESCc1cc(-c2cc(N)no2)ccc1F
InChIInChI=1S/C10H9FN2O/c1-6-4-7(2-3-8(6)11)9-5-10(12)13-14-9/h2-5H,1H3,(H2,12,13)
InChIKeyQMFQCECKAVCIQV-UHFFFAOYSA-N
XLogP2.37
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.19
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(4-fluoro-3-methylphenyl)-1,2-oxazol-3-amine?
The IUPAC name of 5-(4-fluoro-3-methylphenyl)-1,2-oxazol-3-amine (CID 64983047) is 5-(4-fluoro-3-methylphenyl)-1,2-oxazol-3-amine.
What is the SMILES notation for 5-(4-fluoro-3-methylphenyl)-1,2-oxazol-3-amine?
The canonical SMILES for 5-(4-fluoro-3-methylphenyl)-1,2-oxazol-3-amine is Cc1cc(-c2cc(N)no2)ccc1F.
What is the InChIKey of 5-(4-fluoro-3-methylphenyl)-1,2-oxazol-3-amine?
The InChIKey is QMFQCECKAVCIQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9FN2O/c1-6-4-7(2-3-8(6)11)9-5-10(12)13-14-9/h2-5H,1H3,(H2,12,13).
What are the key properties of 5-(4-fluoro-3-methylphenyl)-1,2-oxazol-3-amine?
5-(4-fluoro-3-methylphenyl)-1,2-oxazol-3-amine has a molecular weight of 192.19 g/mol, XLogP of 2.37, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluoro-3-methylphenyl)-1,2-oxazol-3-amine is sourced from PubChem (CID 64983047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).