3-[5-[(2R)-2-amino-1-phenylpropan-2-yl]-1,3,4-oxadiazol-2-yl]-5-(dimethylamino)-N-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]benzamide

C26H30N6O2S — CID 56967244

IUPAC3-[5-[(2R)-2-amino-1-phenylpropan-2-yl]-1,3,4-oxadiazol-2-yl]-5-(dimethylamino)-N-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]benzamide
SMILESCc1csc(CN(C)C(=O)c2cc(-c3nnc([C@](C)(N)Cc4ccccc4)o3)cc(N(C)C)c2)n1
InChIInChI=1S/C26H30N6O2S/c1-17-16-35-22(28-17)15-32(5)24(33)20-11-19(12-21(13-20)31(3)4)23-29-30-25(34-23)26(2,27)14-18-9-7-6-8-10-18/h6-13,16H,14-15,27H2,1-5H3/t26-/m1/s1
InChIKeyVLQHWABVPSCUQL-AREMUKBSSA-N
MW490.63 g/mol
LogP4.26
Rot. Bonds8

About 3-[5-[(2R)-2-amino-1-phenylpropan-2-yl]-1,3,4-oxadiazol-2-yl]-5-(dimethylamino)-N-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]benzamide

3-[5-[(2R)-2-amino-1-phenylpropan-2-yl]-1,3,4-oxadiazol-2-yl]-5-(dimethylamino)-N-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]benzamide (PubChem CID 56967244) has the molecular formula C26H30N6O2S and a molecular weight of 490.63 g/mol. Its IUPAC name is 3-[5-[(2R)-2-amino-1-phenylpropan-2-yl]-1,3,4-oxadiazol-2-yl]-5-(dimethylamino)-N-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]benzamide.

Molecular Properties

Compound Name3-[5-[(2R)-2-amino-1-phenylpropan-2-yl]-1,3,4-oxadiazol-2-yl]-5-(dimethylamino)-N-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]benzamide
PubChem CID56967244
Molecular FormulaC26H30N6O2S
Molecular Weight490.63 g/mol
Exact Mass490.22
IUPAC Name3-[5-[(2R)-2-amino-1-phenylpropan-2-yl]-1,3,4-oxadiazol-2-yl]-5-(dimethylamino)-N-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]benzamide
SMILESCc1csc(CN(C)C(=O)c2cc(-c3nnc([C@](C)(N)Cc4ccccc4)o3)cc(N(C)C)c2)n1
InChIInChI=1S/C26H30N6O2S/c1-17-16-35-22(28-17)15-32(5)24(33)20-11-19(12-21(13-20)31(3)4)23-29-30-25(34-23)26(2,27)14-18-9-7-6-8-10-18/h6-13,16H,14-15,27H2,1-5H3/t26-/m1/s1
InChIKeyVLQHWABVPSCUQL-AREMUKBSSA-N
XLogP4.26
TPSA101.38 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.63
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 3-[5-[(2R)-2-amino-1-phenylpropan-2-yl]-1,3,4-oxadiazol-2-yl]-5-(dimethylamino)-N-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]benzamide 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 3-[5-[(2R)-2-amino-1-phenylpropan-2-yl]-1,3,4-oxadiazol-2-yl]-5-(dimethylamino)-N-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]benzamide?
The IUPAC name of 3-[5-[(2R)-2-amino-1-phenylpropan-2-yl]-1,3,4-oxadiazol-2-yl]-5-(dimethylamino)-N-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]benzamide (CID 56967244) is 3-[5-[(2R)-2-amino-1-phenylpropan-2-yl]-1,3,4-oxadiazol-2-yl]-5-(dimethylamino)-N-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]benzamide.
What is the SMILES notation for 3-[5-[(2R)-2-amino-1-phenylpropan-2-yl]-1,3,4-oxadiazol-2-yl]-5-(dimethylamino)-N-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]benzamide?
The canonical SMILES for 3-[5-[(2R)-2-amino-1-phenylpropan-2-yl]-1,3,4-oxadiazol-2-yl]-5-(dimethylamino)-N-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]benzamide is Cc1csc(CN(C)C(=O)c2cc(-c3nnc([C@](C)(N)Cc4ccccc4)o3)cc(N(C)C)c2)n1.
What is the InChIKey of 3-[5-[(2R)-2-amino-1-phenylpropan-2-yl]-1,3,4-oxadiazol-2-yl]-5-(dimethylamino)-N-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]benzamide?
The InChIKey is VLQHWABVPSCUQL-AREMUKBSSA-N. The full InChI is InChI=1S/C26H30N6O2S/c1-17-16-35-22(28-17)15-32(5)24(33)20-11-19(12-21(13-20)31(3)4)23-29-30-25(34-23)26(2,27)14-18-9-7-6-8-10-18/h6-13,16H,14-15,27H2,1-5H3/t26-/m1/s1.
What are the key properties of 3-[5-[(2R)-2-amino-1-phenylpropan-2-yl]-1,3,4-oxadiazol-2-yl]-5-(dimethylamino)-N-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]benzamide?
3-[5-[(2R)-2-amino-1-phenylpropan-2-yl]-1,3,4-oxadiazol-2-yl]-5-(dimethylamino)-N-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]benzamide has a molecular weight of 490.63 g/mol, XLogP of 4.26, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-[(2R)-2-amino-1-phenylpropan-2-yl]-1,3,4-oxadiazol-2-yl]-5-(dimethylamino)-N-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]benzamide is sourced from PubChem (CID 56967244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).