1-(1,2-oxazol-5-yl)-N-[[2-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]-1,3-thiazol-5-yl]methyl]methanamine

C23H21N3O3S — CID 71292947

IUPAC1-(1,2-oxazol-5-yl)-N-[[2-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]-1,3-thiazol-5-yl]methyl]methanamine
SMILESc1ccc(C2CCc3cc(Oc4ncc(CNCc5ccno5)s4)ccc3O2)cc1
InChIInChI=1S/C23H21N3O3S/c1-2-4-16(5-3-1)21-8-6-17-12-18(7-9-22(17)28-21)27-23-25-15-20(30-23)14-24-13-19-10-11-26-29-19/h1-5,7,9-12,15,21,24H,6,8,13-14H2
InChIKeyQTKSTMQDFUPTCY-UHFFFAOYSA-N
MW419.51 g/mol
LogP5.28
Rot. Bonds7

About 1-(1,2-oxazol-5-yl)-N-[[2-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]-1,3-thiazol-5-yl]methyl]methanamine

1-(1,2-oxazol-5-yl)-N-[[2-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]-1,3-thiazol-5-yl]methyl]methanamine (PubChem CID 71292947) has the molecular formula C23H21N3O3S and a molecular weight of 419.51 g/mol. Its IUPAC name is 1-(1,2-oxazol-5-yl)-N-[[2-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]-1,3-thiazol-5-yl]methyl]methanamine.

Molecular Properties

Compound Name1-(1,2-oxazol-5-yl)-N-[[2-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]-1,3-thiazol-5-yl]methyl]methanamine
PubChem CID71292947
Molecular FormulaC23H21N3O3S
Molecular Weight419.51 g/mol
Exact Mass419.13
IUPAC Name1-(1,2-oxazol-5-yl)-N-[[2-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]-1,3-thiazol-5-yl]methyl]methanamine
SMILESc1ccc(C2CCc3cc(Oc4ncc(CNCc5ccno5)s4)ccc3O2)cc1
InChIInChI=1S/C23H21N3O3S/c1-2-4-16(5-3-1)21-8-6-17-12-18(7-9-22(17)28-21)27-23-25-15-20(30-23)14-24-13-19-10-11-26-29-19/h1-5,7,9-12,15,21,24H,6,8,13-14H2
InChIKeyQTKSTMQDFUPTCY-UHFFFAOYSA-N
XLogP5.28
TPSA69.41 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500419.51
LogP ≤ 55.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 1-(1,2-oxazol-5-yl)-N-[[2-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]-1,3-thiazol-5-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-(1,2-oxazol-5-yl)-N-[[2-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]-1,3-thiazol-5-yl]methyl]methanamine?
The IUPAC name of 1-(1,2-oxazol-5-yl)-N-[[2-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]-1,3-thiazol-5-yl]methyl]methanamine (CID 71292947) is 1-(1,2-oxazol-5-yl)-N-[[2-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]-1,3-thiazol-5-yl]methyl]methanamine.
What is the SMILES notation for 1-(1,2-oxazol-5-yl)-N-[[2-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]-1,3-thiazol-5-yl]methyl]methanamine?
The canonical SMILES for 1-(1,2-oxazol-5-yl)-N-[[2-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]-1,3-thiazol-5-yl]methyl]methanamine is c1ccc(C2CCc3cc(Oc4ncc(CNCc5ccno5)s4)ccc3O2)cc1.
What is the InChIKey of 1-(1,2-oxazol-5-yl)-N-[[2-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]-1,3-thiazol-5-yl]methyl]methanamine?
The InChIKey is QTKSTMQDFUPTCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3O3S/c1-2-4-16(5-3-1)21-8-6-17-12-18(7-9-22(17)28-21)27-23-25-15-20(30-23)14-24-13-19-10-11-26-29-19/h1-5,7,9-12,15,21,24H,6,8,13-14H2.
What are the key properties of 1-(1,2-oxazol-5-yl)-N-[[2-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]-1,3-thiazol-5-yl]methyl]methanamine?
1-(1,2-oxazol-5-yl)-N-[[2-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]-1,3-thiazol-5-yl]methyl]methanamine has a molecular weight of 419.51 g/mol, XLogP of 5.28, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,2-oxazol-5-yl)-N-[[2-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]-1,3-thiazol-5-yl]methyl]methanamine is sourced from PubChem (CID 71292947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).