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

C16H13FN2O2 — CID 102883442

IUPAC3-(2-fluoro-4-methoxyphenyl)-4-phenyl-1,2-oxazol-5-amine
SMILESCOc1ccc(-c2noc(N)c2-c2ccccc2)c(F)c1
InChIInChI=1S/C16H13FN2O2/c1-20-11-7-8-12(13(17)9-11)15-14(16(18)21-19-15)10-5-3-2-4-6-10/h2-9H,18H2,1H3
InChIKeyMHVCNCWDYSNHAN-UHFFFAOYSA-N
MW284.29 g/mol
LogP3.74
Rot. Bonds3

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

3-(2-fluoro-4-methoxyphenyl)-4-phenyl-1,2-oxazol-5-amine (PubChem CID 102883442) has the molecular formula C16H13FN2O2 and a molecular weight of 284.29 g/mol. Its IUPAC name is 3-(2-fluoro-4-methoxyphenyl)-4-phenyl-1,2-oxazol-5-amine.

Molecular Properties

Compound Name3-(2-fluoro-4-methoxyphenyl)-4-phenyl-1,2-oxazol-5-amine
PubChem CID102883442
Molecular FormulaC16H13FN2O2
Molecular Weight284.29 g/mol
Exact Mass284.10
IUPAC Name3-(2-fluoro-4-methoxyphenyl)-4-phenyl-1,2-oxazol-5-amine
SMILESCOc1ccc(-c2noc(N)c2-c2ccccc2)c(F)c1
InChIInChI=1S/C16H13FN2O2/c1-20-11-7-8-12(13(17)9-11)15-14(16(18)21-19-15)10-5-3-2-4-6-10/h2-9H,18H2,1H3
InChIKeyMHVCNCWDYSNHAN-UHFFFAOYSA-N
XLogP3.74
TPSA61.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.29
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-chloro-2-fluorophenyl)-4-phenyl-1,2-oxazol-5-amine
CID 43335730
3-(2-chloro-4-fluorophenyl)-4-phenyl-1,2-oxazol-5-amine
CID 43158039
3-(2,4-difluorophenyl)-4-(3-methylphenyl)-1,2-oxazol-5-amine
CID 62830128
3-(3,5-difluorophenyl)-4-phenyl-1,2-oxazol-5-amine
CID 43335733
4-(2,4-difluorophenyl)-3-(2-fluorophenyl)-1,2-oxazol-5-amine
CID 64559713
3-(2,4-dibromophenyl)-4-phenyl-1,2-oxazol-5-amine
CID 107955260
3-(2-bromophenyl)-4-phenyl-1,2-oxazol-5-amine
CID 43335720
4-(3-bromophenyl)-3-(2-fluorophenyl)-1,2-oxazol-5-amine
CID 43560892
4-(3-methoxy-4-methylphenyl)-3-phenyl-1,2-oxazol-5-amine
CID 43336126
3-(3-methoxyphenyl)-4-(3-methylphenyl)-1,2-oxazol-5-amine
CID 62829950
3-[5-chloro-2,4-bis(phenylmethoxy)phenyl]-4-(4-methoxyphenyl)-1,2-oxazol-5-amine
CID 123307499
3-(3-bromophenyl)-4-(3-methoxyphenyl)-1,2-oxazol-5-amine
CID 61261442

Frequently Asked Questions

What is the IUPAC name of 3-(2-fluoro-4-methoxyphenyl)-4-phenyl-1,2-oxazol-5-amine?
The IUPAC name of 3-(2-fluoro-4-methoxyphenyl)-4-phenyl-1,2-oxazol-5-amine (CID 102883442) is 3-(2-fluoro-4-methoxyphenyl)-4-phenyl-1,2-oxazol-5-amine.
What is the SMILES notation for 3-(2-fluoro-4-methoxyphenyl)-4-phenyl-1,2-oxazol-5-amine?
The canonical SMILES for 3-(2-fluoro-4-methoxyphenyl)-4-phenyl-1,2-oxazol-5-amine is COc1ccc(-c2noc(N)c2-c2ccccc2)c(F)c1.
What is the InChIKey of 3-(2-fluoro-4-methoxyphenyl)-4-phenyl-1,2-oxazol-5-amine?
The InChIKey is MHVCNCWDYSNHAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13FN2O2/c1-20-11-7-8-12(13(17)9-11)15-14(16(18)21-19-15)10-5-3-2-4-6-10/h2-9H,18H2,1H3.
What are the key properties of 3-(2-fluoro-4-methoxyphenyl)-4-phenyl-1,2-oxazol-5-amine?
3-(2-fluoro-4-methoxyphenyl)-4-phenyl-1,2-oxazol-5-amine has a molecular weight of 284.29 g/mol, XLogP of 3.74, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluoro-4-methoxyphenyl)-4-phenyl-1,2-oxazol-5-amine is sourced from PubChem (CID 102883442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).