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

C10H9FN2O — CID 66198215

IUPAC5-(3-fluoro-4-methylphenyl)-1,2-oxazol-3-amine
SMILESCc1ccc(-c2cc(N)no2)cc1F
InChIInChI=1S/C10H9FN2O/c1-6-2-3-7(4-8(6)11)9-5-10(12)13-14-9/h2-5H,1H3,(H2,12,13)
InChIKeyQUAOFHKUMHHYSD-UHFFFAOYSA-N
MW192.19 g/mol
LogP2.37
Rot. Bonds1

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

5-(3-fluoro-4-methylphenyl)-1,2-oxazol-3-amine (PubChem CID 66198215) has the molecular formula C10H9FN2O and a molecular weight of 192.19 g/mol. Its IUPAC name is 5-(3-fluoro-4-methylphenyl)-1,2-oxazol-3-amine.

Molecular Properties

Compound Name5-(3-fluoro-4-methylphenyl)-1,2-oxazol-3-amine
PubChem CID66198215
Molecular FormulaC10H9FN2O
Molecular Weight192.19 g/mol
Exact Mass192.07
IUPAC Name5-(3-fluoro-4-methylphenyl)-1,2-oxazol-3-amine
SMILESCc1ccc(-c2cc(N)no2)cc1F
InChIInChI=1S/C10H9FN2O/c1-6-2-3-7(4-8(6)11)9-5-10(12)13-14-9/h2-5H,1H3,(H2,12,13)
InChIKeyQUAOFHKUMHHYSD-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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Related Compounds

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CID 136804
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3,5-Bis(4-amidinophenyl)isoxazole
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3-[5-(4-Carbamimidoylphenyl)isoxazol-3-yl]benzamidine
CID 11483558
4-(5-Phenyl-1,2-oxazol-3-yl)benzenecarboximidamide
CID 16658982
5-Phenyl-1,2-oxazol-3-amine
CID 3620792
5-(4-Fluorophenyl)isoxazole
CID 2774719
4-(3-Phenyl-1,2-oxazol-5-yl)benzenecarboximidamide
CID 11990396
5-(4-Fluorophenyl)-1,2-oxazol-3-amine
CID 13200424
3-Iodo-5-phenylisoxazole
CID 12371358
4-fluoro-2-methyl-N-(5-phenyl-1,2-oxazol-3-yl)benzene-1-sulfonamide
CID 72106736
5-(4-Chlorophenyl)-1,2-oxazol-3-amine
CID 13035539

Frequently Asked Questions

What is the IUPAC name of 5-(3-fluoro-4-methylphenyl)-1,2-oxazol-3-amine?
The IUPAC name of 5-(3-fluoro-4-methylphenyl)-1,2-oxazol-3-amine (CID 66198215) is 5-(3-fluoro-4-methylphenyl)-1,2-oxazol-3-amine.
What is the SMILES notation for 5-(3-fluoro-4-methylphenyl)-1,2-oxazol-3-amine?
The canonical SMILES for 5-(3-fluoro-4-methylphenyl)-1,2-oxazol-3-amine is Cc1ccc(-c2cc(N)no2)cc1F.
What is the InChIKey of 5-(3-fluoro-4-methylphenyl)-1,2-oxazol-3-amine?
The InChIKey is QUAOFHKUMHHYSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9FN2O/c1-6-2-3-7(4-8(6)11)9-5-10(12)13-14-9/h2-5H,1H3,(H2,12,13).
What are the key properties of 5-(3-fluoro-4-methylphenyl)-1,2-oxazol-3-amine?
5-(3-fluoro-4-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-(3-fluoro-4-methylphenyl)-1,2-oxazol-3-amine is sourced from PubChem (CID 66198215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).