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

C22H19N3O2S — CID 24960065

IUPACN-benzyl-2-(2-benzyl-1,3-oxazol-5-yl)-4-methyl-1,3-thiazole-5-carboxamide
SMILESCc1nc(-c2cnc(Cc3ccccc3)o2)sc1C(=O)NCc1ccccc1
InChIInChI=1S/C22H19N3O2S/c1-15-20(21(26)24-13-17-10-6-3-7-11-17)28-22(25-15)18-14-23-19(27-18)12-16-8-4-2-5-9-16/h2-11,14H,12-13H2,1H3,(H,24,26)
InChIKeyAYMGVVBGKQTIHD-UHFFFAOYSA-N
MW389.48 g/mol
LogP4.63
Rot. Bonds6

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

N-benzyl-2-(2-benzyl-1,3-oxazol-5-yl)-4-methyl-1,3-thiazole-5-carboxamide (PubChem CID 24960065) has the molecular formula C22H19N3O2S and a molecular weight of 389.48 g/mol. Its IUPAC name is N-benzyl-2-(2-benzyl-1,3-oxazol-5-yl)-4-methyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-benzyl-2-(2-benzyl-1,3-oxazol-5-yl)-4-methyl-1,3-thiazole-5-carboxamide
PubChem CID24960065
Molecular FormulaC22H19N3O2S
Molecular Weight389.48 g/mol
Exact Mass389.12
IUPAC NameN-benzyl-2-(2-benzyl-1,3-oxazol-5-yl)-4-methyl-1,3-thiazole-5-carboxamide
SMILESCc1nc(-c2cnc(Cc3ccccc3)o2)sc1C(=O)NCc1ccccc1
InChIInChI=1S/C22H19N3O2S/c1-15-20(21(26)24-13-17-10-6-3-7-11-17)28-22(25-15)18-14-23-19(27-18)12-16-8-4-2-5-9-16/h2-11,14H,12-13H2,1H3,(H,24,26)
InChIKeyAYMGVVBGKQTIHD-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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Related Compounds

4-oxazol-5-yl-N-[[4-(4-phenylthiazol-2-yl)tetrahydropyran-4-yl]methyl]benzamide
CID 127033252
2,4-dimethyl-N-[[5-methyl-2-[3-(pyridine-2-carbonylamino)phenyl]-1,3-oxazol-4-yl]methyl]-1,3-thiazole-5-carboxamide
CID 42322592
5-phenyl-N-((2-phenylthiazol-4-yl)methyl)oxazole-2-carboxamide
CID 76145312
[5-(4-Fluorophenyl)-2-methyl-1,3-thiazol-4-yl]-[2-[(5-phenyl-1,3-oxazol-2-yl)methyl]piperidin-1-yl]methanone
CID 10298315
2,6-difluoro-N-[4-[5-methyl-2-(1,3-oxazol-5-yl)-1,3-thiazol-4-yl]phenyl]benzamide
CID 45280753
[5-(4-Fluorophenyl)-2-methyl-1,3-thiazol-4-yl]-[2-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methyl]piperidin-1-yl]methanone
CID 67158357
[5-(4-Fluorophenyl)-2-methyl-1,3-thiazol-4-yl]-[2-[(5-methyl-4-phenyl-1,3-oxazol-2-yl)methyl]piperidin-1-yl]methanone
CID 67158424
Tert-butyl 4-[(4-fluorophenyl)-[5-[4-(propan-2-ylcarbamoyl)-1,3-thiazol-2-yl]-1,3-oxazol-2-yl]methyl]piperazine-1-carboxylate
CID 69178700
2-(2,6-Difluorophenyl)-1-[4-methyl-5-[3-(1,3-oxazol-2-yl)phenyl]-1,3-thiazol-2-yl]ethanone
CID 161648857
2-(4-Methyl-2-phenyl-1,3-thiazol-5-yl)-5-phenyl-1,3-oxazole
CID 46210689
(5-Phenyl-1,3-oxazol-2-yl)methyl 2-(4-fluorophenyl)-4-methyl-1,3-thiazole-5-carboxylate
CID 8513807
[5-(4-Fluorophenyl)-2-methyl-1,3-thiazol-4-yl]-[2-[[5-(2-fluorophenyl)-1,3-oxazol-2-yl]methyl]piperidin-1-yl]methanone
CID 10162784

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-(2-benzyl-1,3-oxazol-5-yl)-4-methyl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-benzyl-2-(2-benzyl-1,3-oxazol-5-yl)-4-methyl-1,3-thiazole-5-carboxamide (CID 24960065) is N-benzyl-2-(2-benzyl-1,3-oxazol-5-yl)-4-methyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-benzyl-2-(2-benzyl-1,3-oxazol-5-yl)-4-methyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-benzyl-2-(2-benzyl-1,3-oxazol-5-yl)-4-methyl-1,3-thiazole-5-carboxamide is Cc1nc(-c2cnc(Cc3ccccc3)o2)sc1C(=O)NCc1ccccc1.
What is the InChIKey of N-benzyl-2-(2-benzyl-1,3-oxazol-5-yl)-4-methyl-1,3-thiazole-5-carboxamide?
The InChIKey is AYMGVVBGKQTIHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3O2S/c1-15-20(21(26)24-13-17-10-6-3-7-11-17)28-22(25-15)18-14-23-19(27-18)12-16-8-4-2-5-9-16/h2-11,14H,12-13H2,1H3,(H,24,26).
What are the key properties of N-benzyl-2-(2-benzyl-1,3-oxazol-5-yl)-4-methyl-1,3-thiazole-5-carboxamide?
N-benzyl-2-(2-benzyl-1,3-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-(2-benzyl-1,3-oxazol-5-yl)-4-methyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 24960065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).