2,5-dimethyl-N-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]aniline

C17H18N2OS — CID 78833686

IUPAC2,5-dimethyl-N-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]aniline
SMILESCc1ccc(C)c(NCc2nc(-c3cccs3)oc2C)c1
InChIInChI=1S/C17H18N2OS/c1-11-6-7-12(2)14(9-11)18-10-15-13(3)20-17(19-15)16-5-4-8-21-16/h4-9,18H,10H2,1-3H3
InChIKeyQTQVAZOMRAKNDF-UHFFFAOYSA-N
MW298.41 g/mol
LogP4.94
Rot. Bonds4

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

2,5-dimethyl-N-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]aniline (PubChem CID 78833686) has the molecular formula C17H18N2OS and a molecular weight of 298.41 g/mol. Its IUPAC name is 2,5-dimethyl-N-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]aniline.

Molecular Properties

Compound Name2,5-dimethyl-N-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]aniline
PubChem CID78833686
Molecular FormulaC17H18N2OS
Molecular Weight298.41 g/mol
Exact Mass298.11
IUPAC Name2,5-dimethyl-N-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]aniline
SMILESCc1ccc(C)c(NCc2nc(-c3cccs3)oc2C)c1
InChIInChI=1S/C17H18N2OS/c1-11-6-7-12(2)14(9-11)18-10-15-13(3)20-17(19-15)16-5-4-8-21-16/h4-9,18H,10H2,1-3H3
InChIKeyQTQVAZOMRAKNDF-UHFFFAOYSA-N
XLogP4.94
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-N-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]aniline?
The IUPAC name of 2,5-dimethyl-N-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]aniline (CID 78833686) is 2,5-dimethyl-N-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]aniline.
What is the SMILES notation for 2,5-dimethyl-N-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]aniline?
The canonical SMILES for 2,5-dimethyl-N-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]aniline is Cc1ccc(C)c(NCc2nc(-c3cccs3)oc2C)c1.
What is the InChIKey of 2,5-dimethyl-N-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]aniline?
The InChIKey is QTQVAZOMRAKNDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2OS/c1-11-6-7-12(2)14(9-11)18-10-15-13(3)20-17(19-15)16-5-4-8-21-16/h4-9,18H,10H2,1-3H3.
What are the key properties of 2,5-dimethyl-N-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]aniline?
2,5-dimethyl-N-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]aniline has a molecular weight of 298.41 g/mol, XLogP of 4.94, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-N-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]aniline is sourced from PubChem (CID 78833686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).