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

C17H18N2OS — CID 79802924

IUPAC3-(4-methylthiophen-3-yl)-4-(4-propan-2-ylphenyl)-1,2-oxazol-5-amine
SMILESCc1cscc1-c1noc(N)c1-c1ccc(C(C)C)cc1
InChIInChI=1S/C17H18N2OS/c1-10(2)12-4-6-13(7-5-12)15-16(19-20-17(15)18)14-9-21-8-11(14)3/h4-10H,18H2,1-3H3
InChIKeyABIPOPAXVZGHRY-UHFFFAOYSA-N
MW298.41 g/mol
LogP5.08
Rot. Bonds3

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

3-(4-methylthiophen-3-yl)-4-(4-propan-2-ylphenyl)-1,2-oxazol-5-amine (PubChem CID 79802924) has the molecular formula C17H18N2OS and a molecular weight of 298.41 g/mol. Its IUPAC name is 3-(4-methylthiophen-3-yl)-4-(4-propan-2-ylphenyl)-1,2-oxazol-5-amine.

Molecular Properties

Compound Name3-(4-methylthiophen-3-yl)-4-(4-propan-2-ylphenyl)-1,2-oxazol-5-amine
PubChem CID79802924
Molecular FormulaC17H18N2OS
Molecular Weight298.41 g/mol
Exact Mass298.11
IUPAC Name3-(4-methylthiophen-3-yl)-4-(4-propan-2-ylphenyl)-1,2-oxazol-5-amine
SMILESCc1cscc1-c1noc(N)c1-c1ccc(C(C)C)cc1
InChIInChI=1S/C17H18N2OS/c1-10(2)12-4-6-13(7-5-12)15-16(19-20-17(15)18)14-9-21-8-11(14)3/h4-10H,18H2,1-3H3
InChIKeyABIPOPAXVZGHRY-UHFFFAOYSA-N
XLogP5.08
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500298.41
LogP ≤ 55.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(4-methylthiophen-3-yl)-4-(4-propan-2-ylphenyl)-1,2-oxazol-5-amine?
The IUPAC name of 3-(4-methylthiophen-3-yl)-4-(4-propan-2-ylphenyl)-1,2-oxazol-5-amine (CID 79802924) is 3-(4-methylthiophen-3-yl)-4-(4-propan-2-ylphenyl)-1,2-oxazol-5-amine.
What is the SMILES notation for 3-(4-methylthiophen-3-yl)-4-(4-propan-2-ylphenyl)-1,2-oxazol-5-amine?
The canonical SMILES for 3-(4-methylthiophen-3-yl)-4-(4-propan-2-ylphenyl)-1,2-oxazol-5-amine is Cc1cscc1-c1noc(N)c1-c1ccc(C(C)C)cc1.
What is the InChIKey of 3-(4-methylthiophen-3-yl)-4-(4-propan-2-ylphenyl)-1,2-oxazol-5-amine?
The InChIKey is ABIPOPAXVZGHRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2OS/c1-10(2)12-4-6-13(7-5-12)15-16(19-20-17(15)18)14-9-21-8-11(14)3/h4-10H,18H2,1-3H3.
What are the key properties of 3-(4-methylthiophen-3-yl)-4-(4-propan-2-ylphenyl)-1,2-oxazol-5-amine?
3-(4-methylthiophen-3-yl)-4-(4-propan-2-ylphenyl)-1,2-oxazol-5-amine has a molecular weight of 298.41 g/mol, XLogP of 5.08, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylthiophen-3-yl)-4-(4-propan-2-ylphenyl)-1,2-oxazol-5-amine is sourced from PubChem (CID 79802924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).