N-benzyl-2-(3-benzyl-1,2-oxazol-5-yl)-4-methyl-1,3-thiazole-5-carboxamide

C22H19N3O2S — CID 24960062

IUPACN-benzyl-2-(3-benzyl-1,2-oxazol-5-yl)-4-methyl-1,3-thiazole-5-carboxamide
SMILESCc1nc(-c2cc(Cc3ccccc3)no2)sc1C(=O)NCc1ccccc1
InChIInChI=1S/C22H19N3O2S/c1-15-20(21(26)23-14-17-10-6-3-7-11-17)28-22(24-15)19-13-18(25-27-19)12-16-8-4-2-5-9-16/h2-11,13H,12,14H2,1H3,(H,23,26)
InChIKeyVVCCFRMGZHTIFG-UHFFFAOYSA-N
MW389.48 g/mol
LogP4.63
Rot. Bonds6

About N-benzyl-2-(3-benzyl-1,2-oxazol-5-yl)-4-methyl-1,3-thiazole-5-carboxamide

N-benzyl-2-(3-benzyl-1,2-oxazol-5-yl)-4-methyl-1,3-thiazole-5-carboxamide (PubChem CID 24960062) has the molecular formula C22H19N3O2S and a molecular weight of 389.48 g/mol. Its IUPAC name is N-benzyl-2-(3-benzyl-1,2-oxazol-5-yl)-4-methyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-benzyl-2-(3-benzyl-1,2-oxazol-5-yl)-4-methyl-1,3-thiazole-5-carboxamide
PubChem CID24960062
Molecular FormulaC22H19N3O2S
Molecular Weight389.48 g/mol
Exact Mass389.12
IUPAC NameN-benzyl-2-(3-benzyl-1,2-oxazol-5-yl)-4-methyl-1,3-thiazole-5-carboxamide
SMILESCc1nc(-c2cc(Cc3ccccc3)no2)sc1C(=O)NCc1ccccc1
InChIInChI=1S/C22H19N3O2S/c1-15-20(21(26)23-14-17-10-6-3-7-11-17)28-22(24-15)19-13-18(25-27-19)12-16-8-4-2-5-9-16/h2-11,13H,12,14H2,1H3,(H,23,26)
InChIKeyVVCCFRMGZHTIFG-UHFFFAOYSA-N
XLogP4.63
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.48
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-(3-benzyl-1,2-oxazol-5-yl)-4-methyl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-benzyl-2-(3-benzyl-1,2-oxazol-5-yl)-4-methyl-1,3-thiazole-5-carboxamide (CID 24960062) is N-benzyl-2-(3-benzyl-1,2-oxazol-5-yl)-4-methyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-benzyl-2-(3-benzyl-1,2-oxazol-5-yl)-4-methyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-benzyl-2-(3-benzyl-1,2-oxazol-5-yl)-4-methyl-1,3-thiazole-5-carboxamide is Cc1nc(-c2cc(Cc3ccccc3)no2)sc1C(=O)NCc1ccccc1.
What is the InChIKey of N-benzyl-2-(3-benzyl-1,2-oxazol-5-yl)-4-methyl-1,3-thiazole-5-carboxamide?
The InChIKey is VVCCFRMGZHTIFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3O2S/c1-15-20(21(26)23-14-17-10-6-3-7-11-17)28-22(24-15)19-13-18(25-27-19)12-16-8-4-2-5-9-16/h2-11,13H,12,14H2,1H3,(H,23,26).
What are the key properties of N-benzyl-2-(3-benzyl-1,2-oxazol-5-yl)-4-methyl-1,3-thiazole-5-carboxamide?
N-benzyl-2-(3-benzyl-1,2-oxazol-5-yl)-4-methyl-1,3-thiazole-5-carboxamide has a molecular weight of 389.48 g/mol, XLogP of 4.63, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-(3-benzyl-1,2-oxazol-5-yl)-4-methyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 24960062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).