4-[4-(4-methoxyphenyl)-5-methyl-1,2-oxazol-3-yl]aniline

C17H16N2O2 — CID 155552862

IUPAC4-[4-(4-methoxyphenyl)-5-methyl-1,2-oxazol-3-yl]aniline
SMILESCOc1ccc(-c2c(-c3ccc(N)cc3)noc2C)cc1
InChIInChI=1S/C17H16N2O2/c1-11-16(12-5-9-15(20-2)10-6-12)17(19-21-11)13-3-7-14(18)8-4-13/h3-10H,18H2,1-2H3
InChIKeyJGMJTLMSWFUHFB-UHFFFAOYSA-N
MW280.33 g/mol
LogP3.91
Rot. Bonds3

About 4-[4-(4-methoxyphenyl)-5-methyl-1,2-oxazol-3-yl]aniline

4-[4-(4-methoxyphenyl)-5-methyl-1,2-oxazol-3-yl]aniline (PubChem CID 155552862) has the molecular formula C17H16N2O2 and a molecular weight of 280.33 g/mol. Its IUPAC name is 4-[4-(4-methoxyphenyl)-5-methyl-1,2-oxazol-3-yl]aniline.

Molecular Properties

Compound Name4-[4-(4-methoxyphenyl)-5-methyl-1,2-oxazol-3-yl]aniline
PubChem CID155552862
Molecular FormulaC17H16N2O2
Molecular Weight280.33 g/mol
Exact Mass280.12
IUPAC Name4-[4-(4-methoxyphenyl)-5-methyl-1,2-oxazol-3-yl]aniline
SMILESCOc1ccc(-c2c(-c3ccc(N)cc3)noc2C)cc1
InChIInChI=1S/C17H16N2O2/c1-11-16(12-5-9-15(20-2)10-6-12)17(19-21-11)13-3-7-14(18)8-4-13/h3-10H,18H2,1-2H3
InChIKeyJGMJTLMSWFUHFB-UHFFFAOYSA-N
XLogP3.91
TPSA61.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(4-methoxyphenyl)-5-methyl-1,2-oxazol-3-yl]aniline?
The IUPAC name of 4-[4-(4-methoxyphenyl)-5-methyl-1,2-oxazol-3-yl]aniline (CID 155552862) is 4-[4-(4-methoxyphenyl)-5-methyl-1,2-oxazol-3-yl]aniline.
What is the SMILES notation for 4-[4-(4-methoxyphenyl)-5-methyl-1,2-oxazol-3-yl]aniline?
The canonical SMILES for 4-[4-(4-methoxyphenyl)-5-methyl-1,2-oxazol-3-yl]aniline is COc1ccc(-c2c(-c3ccc(N)cc3)noc2C)cc1.
What is the InChIKey of 4-[4-(4-methoxyphenyl)-5-methyl-1,2-oxazol-3-yl]aniline?
The InChIKey is JGMJTLMSWFUHFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O2/c1-11-16(12-5-9-15(20-2)10-6-12)17(19-21-11)13-3-7-14(18)8-4-13/h3-10H,18H2,1-2H3.
What are the key properties of 4-[4-(4-methoxyphenyl)-5-methyl-1,2-oxazol-3-yl]aniline?
4-[4-(4-methoxyphenyl)-5-methyl-1,2-oxazol-3-yl]aniline has a molecular weight of 280.33 g/mol, XLogP of 3.91, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4-methoxyphenyl)-5-methyl-1,2-oxazol-3-yl]aniline is sourced from PubChem (CID 155552862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).