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

C15H14N2OS — CID 62831172

IUPAC4-(3-methylphenyl)-3-(3-methylthiophen-2-yl)-1,2-oxazol-5-amine
SMILESCc1cccc(-c2c(-c3sccc3C)noc2N)c1
InChIInChI=1S/C15H14N2OS/c1-9-4-3-5-11(8-9)12-13(17-18-15(12)16)14-10(2)6-7-19-14/h3-8H,16H2,1-2H3
InChIKeyYYVDSVJQTXSIEE-UHFFFAOYSA-N
MW270.36 g/mol
LogP4.27
Rot. Bonds2

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

4-(3-methylphenyl)-3-(3-methylthiophen-2-yl)-1,2-oxazol-5-amine (PubChem CID 62831172) has the molecular formula C15H14N2OS and a molecular weight of 270.36 g/mol. Its IUPAC name is 4-(3-methylphenyl)-3-(3-methylthiophen-2-yl)-1,2-oxazol-5-amine.

Molecular Properties

Compound Name4-(3-methylphenyl)-3-(3-methylthiophen-2-yl)-1,2-oxazol-5-amine
PubChem CID62831172
Molecular FormulaC15H14N2OS
Molecular Weight270.36 g/mol
Exact Mass270.08
IUPAC Name4-(3-methylphenyl)-3-(3-methylthiophen-2-yl)-1,2-oxazol-5-amine
SMILESCc1cccc(-c2c(-c3sccc3C)noc2N)c1
InChIInChI=1S/C15H14N2OS/c1-9-4-3-5-11(8-9)12-13(17-18-15(12)16)14-10(2)6-7-19-14/h3-8H,16H2,1-2H3
InChIKeyYYVDSVJQTXSIEE-UHFFFAOYSA-N
XLogP4.27
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.36
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(3-methylphenyl)-3-(3-methylthiophen-2-yl)-1,2-oxazol-5-amine?
The IUPAC name of 4-(3-methylphenyl)-3-(3-methylthiophen-2-yl)-1,2-oxazol-5-amine (CID 62831172) is 4-(3-methylphenyl)-3-(3-methylthiophen-2-yl)-1,2-oxazol-5-amine.
What is the SMILES notation for 4-(3-methylphenyl)-3-(3-methylthiophen-2-yl)-1,2-oxazol-5-amine?
The canonical SMILES for 4-(3-methylphenyl)-3-(3-methylthiophen-2-yl)-1,2-oxazol-5-amine is Cc1cccc(-c2c(-c3sccc3C)noc2N)c1.
What is the InChIKey of 4-(3-methylphenyl)-3-(3-methylthiophen-2-yl)-1,2-oxazol-5-amine?
The InChIKey is YYVDSVJQTXSIEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2OS/c1-9-4-3-5-11(8-9)12-13(17-18-15(12)16)14-10(2)6-7-19-14/h3-8H,16H2,1-2H3.
What are the key properties of 4-(3-methylphenyl)-3-(3-methylthiophen-2-yl)-1,2-oxazol-5-amine?
4-(3-methylphenyl)-3-(3-methylthiophen-2-yl)-1,2-oxazol-5-amine has a molecular weight of 270.36 g/mol, XLogP of 4.27, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methylphenyl)-3-(3-methylthiophen-2-yl)-1,2-oxazol-5-amine is sourced from PubChem (CID 62831172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).