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

C14H12N2OS — CID 62830144

IUPAC4-(4-methylphenyl)-3-thiophen-3-yl-1,2-oxazol-5-amine
SMILESCc1ccc(-c2c(-c3ccsc3)noc2N)cc1
InChIInChI=1S/C14H12N2OS/c1-9-2-4-10(5-3-9)12-13(16-17-14(12)15)11-6-7-18-8-11/h2-8H,15H2,1H3
InChIKeyWSNIRIHAXFXLGO-UHFFFAOYSA-N
MW256.33 g/mol
LogP3.96
Rot. Bonds2

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

4-(4-methylphenyl)-3-thiophen-3-yl-1,2-oxazol-5-amine (PubChem CID 62830144) has the molecular formula C14H12N2OS and a molecular weight of 256.33 g/mol. Its IUPAC name is 4-(4-methylphenyl)-3-thiophen-3-yl-1,2-oxazol-5-amine.

Molecular Properties

Compound Name4-(4-methylphenyl)-3-thiophen-3-yl-1,2-oxazol-5-amine
PubChem CID62830144
Molecular FormulaC14H12N2OS
Molecular Weight256.33 g/mol
Exact Mass256.07
IUPAC Name4-(4-methylphenyl)-3-thiophen-3-yl-1,2-oxazol-5-amine
SMILESCc1ccc(-c2c(-c3ccsc3)noc2N)cc1
InChIInChI=1S/C14H12N2OS/c1-9-2-4-10(5-3-9)12-13(16-17-14(12)15)11-6-7-18-8-11/h2-8H,15H2,1H3
InChIKeyWSNIRIHAXFXLGO-UHFFFAOYSA-N
XLogP3.96
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.33
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-pyridin-4-yl-3-thiophen-3-yl-1,2-oxazol-5-amine
CID 80525022
4-(2-methoxy-5-methylphenyl)-3-thiophen-3-yl-1,2-oxazol-5-amine
CID 43335925
3-(3,5-dimethylphenyl)-4-(4-methylphenyl)-1,2-oxazol-5-amine
CID 62830488
3-(4-fluorophenyl)-4-(4-methylphenyl)-1,2-oxazol-5-amine
CID 62830483
1-methyl-4-(4-methylphenyl)-3-thiophen-3-ylpyrazol-5-amine
CID 62828575
3-(3-methoxythiophen-2-yl)-4-(4-methylphenyl)-1,2-oxazol-5-amine
CID 81121771
4-(4-methylphenyl)-3-(1H-pyrazol-5-yl)-1,2-oxazol-5-amine
CID 63078369
3-(2,4-dibromophenyl)-4-(4-methylphenyl)-1,2-oxazol-5-amine
CID 107955338
3-(2-bromo-3-methylphenyl)-4-(4-methylphenyl)-1,2-oxazol-5-amine
CID 107982879
3-(2,5-dibromophenyl)-4-(4-methylphenyl)-1,2-oxazol-5-amine
CID 114373473
3-(4-fluoro-3-methylphenyl)-4-pyridin-4-yl-1,2-oxazol-5-amine
CID 57417818
3-(4-phenylphenyl)-4-pyridin-4-yl-1,2-oxazol-5-amine
CID 69006280

Frequently Asked Questions

What is the IUPAC name of 4-(4-methylphenyl)-3-thiophen-3-yl-1,2-oxazol-5-amine?
The IUPAC name of 4-(4-methylphenyl)-3-thiophen-3-yl-1,2-oxazol-5-amine (CID 62830144) is 4-(4-methylphenyl)-3-thiophen-3-yl-1,2-oxazol-5-amine.
What is the SMILES notation for 4-(4-methylphenyl)-3-thiophen-3-yl-1,2-oxazol-5-amine?
The canonical SMILES for 4-(4-methylphenyl)-3-thiophen-3-yl-1,2-oxazol-5-amine is Cc1ccc(-c2c(-c3ccsc3)noc2N)cc1.
What is the InChIKey of 4-(4-methylphenyl)-3-thiophen-3-yl-1,2-oxazol-5-amine?
The InChIKey is WSNIRIHAXFXLGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2OS/c1-9-2-4-10(5-3-9)12-13(16-17-14(12)15)11-6-7-18-8-11/h2-8H,15H2,1H3.
What are the key properties of 4-(4-methylphenyl)-3-thiophen-3-yl-1,2-oxazol-5-amine?
4-(4-methylphenyl)-3-thiophen-3-yl-1,2-oxazol-5-amine has a molecular weight of 256.33 g/mol, XLogP of 3.96, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methylphenyl)-3-thiophen-3-yl-1,2-oxazol-5-amine is sourced from PubChem (CID 62830144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).