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

C10H8ClFN2O2 — CID 117358441

IUPAC3-(4-chloro-3-fluoro-5-methoxyphenyl)-1,2-oxazol-5-amine
SMILESCOc1cc(-c2cc(N)on2)cc(F)c1Cl
InChIInChI=1S/C10H8ClFN2O2/c1-15-8-3-5(2-6(12)10(8)11)7-4-9(13)16-14-7/h2-4H,13H2,1H3
InChIKeyZAXFCFKPYGBLQJ-UHFFFAOYSA-N
MW242.64 g/mol
LogP2.72
Rot. Bonds2

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

3-(4-chloro-3-fluoro-5-methoxyphenyl)-1,2-oxazol-5-amine (PubChem CID 117358441) has the molecular formula C10H8ClFN2O2 and a molecular weight of 242.64 g/mol. Its IUPAC name is 3-(4-chloro-3-fluoro-5-methoxyphenyl)-1,2-oxazol-5-amine.

Molecular Properties

Compound Name3-(4-chloro-3-fluoro-5-methoxyphenyl)-1,2-oxazol-5-amine
PubChem CID117358441
Molecular FormulaC10H8ClFN2O2
Molecular Weight242.64 g/mol
Exact Mass242.03
IUPAC Name3-(4-chloro-3-fluoro-5-methoxyphenyl)-1,2-oxazol-5-amine
SMILESCOc1cc(-c2cc(N)on2)cc(F)c1Cl
InChIInChI=1S/C10H8ClFN2O2/c1-15-8-3-5(2-6(12)10(8)11)7-4-9(13)16-14-7/h2-4H,13H2,1H3
InChIKeyZAXFCFKPYGBLQJ-UHFFFAOYSA-N
XLogP2.72
TPSA61.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.64
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-fluoro-3-methoxy-5-methylphenyl)-1,2-oxazol-5-amine
CID 117317570
3-(3-chloro-5-fluoro-4-methylphenyl)-1,2-oxazol-5-amine
CID 117325893
3-(5-bromo-2-fluoro-4-methoxyphenyl)-1,2-oxazol-5-amine
CID 117462618
5-(5-amino-1,2-oxazol-3-yl)-2-hydroxy-3-methoxybenzoic acid
CID 136998086
2-(5-amino-1,2-oxazol-3-yl)-5-fluoro-4-methoxyphenol
CID 136968465
3-(3-methoxy-4-propan-2-ylphenyl)-1,2-oxazol-5-amine
CID 117336518
4-(5-amino-1,2-oxazol-3-yl)-5-fluoro-2-methoxyphenol
CID 136968470
3-(4-bromo-2,5-dimethoxyphenyl)-1,2-oxazol-5-amine
CID 3407261
methyl 5-(5-amino-1,2-oxazol-3-yl)-3-fluoro-2-hydroxybenzoate
CID 136942210
3-(3-chloro-2-ethyl-4,5-dimethoxyphenyl)-1,2-oxazol-5-amine
CID 117454226
5-(5-amino-1,2-oxazol-3-yl)-7-methoxy-1,3-benzoxathiol-2-one
CID 117414699
3-(3-chloro-6-fluoro-2-methoxyphenyl)-1,2-oxazol-5-amine
CID 117358433

Frequently Asked Questions

What is the IUPAC name of 3-(4-chloro-3-fluoro-5-methoxyphenyl)-1,2-oxazol-5-amine?
The IUPAC name of 3-(4-chloro-3-fluoro-5-methoxyphenyl)-1,2-oxazol-5-amine (CID 117358441) is 3-(4-chloro-3-fluoro-5-methoxyphenyl)-1,2-oxazol-5-amine.
What is the SMILES notation for 3-(4-chloro-3-fluoro-5-methoxyphenyl)-1,2-oxazol-5-amine?
The canonical SMILES for 3-(4-chloro-3-fluoro-5-methoxyphenyl)-1,2-oxazol-5-amine is COc1cc(-c2cc(N)on2)cc(F)c1Cl.
What is the InChIKey of 3-(4-chloro-3-fluoro-5-methoxyphenyl)-1,2-oxazol-5-amine?
The InChIKey is ZAXFCFKPYGBLQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClFN2O2/c1-15-8-3-5(2-6(12)10(8)11)7-4-9(13)16-14-7/h2-4H,13H2,1H3.
What are the key properties of 3-(4-chloro-3-fluoro-5-methoxyphenyl)-1,2-oxazol-5-amine?
3-(4-chloro-3-fluoro-5-methoxyphenyl)-1,2-oxazol-5-amine has a molecular weight of 242.64 g/mol, XLogP of 2.72, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chloro-3-fluoro-5-methoxyphenyl)-1,2-oxazol-5-amine is sourced from PubChem (CID 117358441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).