1,1-diphenyl-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]methanamine

C21H18N2OS — CID 18775660

IUPAC1,1-diphenyl-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]methanamine
SMILESc1ccc(C(NCc2coc(-c3cccs3)n2)c2ccccc2)cc1
InChIInChI=1S/C21H18N2OS/c1-3-8-16(9-4-1)20(17-10-5-2-6-11-17)22-14-18-15-24-21(23-18)19-12-7-13-25-19/h1-13,15,20,22H,14H2
InChIKeyAAHLVRBGEKNUSU-UHFFFAOYSA-N
MW346.46 g/mol
LogP5.28
Rot. Bonds6

About 1,1-diphenyl-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]methanamine

1,1-diphenyl-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]methanamine (PubChem CID 18775660) has the molecular formula C21H18N2OS and a molecular weight of 346.46 g/mol. Its IUPAC name is 1,1-diphenyl-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]methanamine.

Molecular Properties

Compound Name1,1-diphenyl-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]methanamine
PubChem CID18775660
Molecular FormulaC21H18N2OS
Molecular Weight346.46 g/mol
Exact Mass346.11
IUPAC Name1,1-diphenyl-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]methanamine
SMILESc1ccc(C(NCc2coc(-c3cccs3)n2)c2ccccc2)cc1
InChIInChI=1S/C21H18N2OS/c1-3-8-16(9-4-1)20(17-10-5-2-6-11-17)22-14-18-15-24-21(23-18)19-12-7-13-25-19/h1-13,15,20,22H,14H2
InChIKeyAAHLVRBGEKNUSU-UHFFFAOYSA-N
XLogP5.28
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.46
LogP ≤ 55.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1,1-diphenyl-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1,1-diphenyl-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]methanamine?
The IUPAC name of 1,1-diphenyl-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]methanamine (CID 18775660) is 1,1-diphenyl-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]methanamine.
What is the SMILES notation for 1,1-diphenyl-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]methanamine?
The canonical SMILES for 1,1-diphenyl-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]methanamine is c1ccc(C(NCc2coc(-c3cccs3)n2)c2ccccc2)cc1.
What is the InChIKey of 1,1-diphenyl-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]methanamine?
The InChIKey is AAHLVRBGEKNUSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N2OS/c1-3-8-16(9-4-1)20(17-10-5-2-6-11-17)22-14-18-15-24-21(23-18)19-12-7-13-25-19/h1-13,15,20,22H,14H2.
What are the key properties of 1,1-diphenyl-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]methanamine?
1,1-diphenyl-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]methanamine has a molecular weight of 346.46 g/mol, XLogP of 5.28, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-diphenyl-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]methanamine is sourced from PubChem (CID 18775660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).