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

C23H21N3O2S — CID 24960063

IUPACN-benzyl-4-methyl-2-[3-(2-phenylethyl)-1,2-oxazol-5-yl]-1,3-thiazole-5-carboxamide
SMILESCc1nc(-c2cc(CCc3ccccc3)no2)sc1C(=O)NCc1ccccc1
InChIInChI=1S/C23H21N3O2S/c1-16-21(22(27)24-15-18-10-6-3-7-11-18)29-23(25-16)20-14-19(26-28-20)13-12-17-8-4-2-5-9-17/h2-11,14H,12-13,15H2,1H3,(H,24,27)
InChIKeyDJRPRSHYPTUPDH-UHFFFAOYSA-N
MW403.51 g/mol
LogP4.82
Rot. Bonds7

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

N-benzyl-4-methyl-2-[3-(2-phenylethyl)-1,2-oxazol-5-yl]-1,3-thiazole-5-carboxamide (PubChem CID 24960063) has the molecular formula C23H21N3O2S and a molecular weight of 403.51 g/mol. Its IUPAC name is N-benzyl-4-methyl-2-[3-(2-phenylethyl)-1,2-oxazol-5-yl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-benzyl-4-methyl-2-[3-(2-phenylethyl)-1,2-oxazol-5-yl]-1,3-thiazole-5-carboxamide
PubChem CID24960063
Molecular FormulaC23H21N3O2S
Molecular Weight403.51 g/mol
Exact Mass403.14
IUPAC NameN-benzyl-4-methyl-2-[3-(2-phenylethyl)-1,2-oxazol-5-yl]-1,3-thiazole-5-carboxamide
SMILESCc1nc(-c2cc(CCc3ccccc3)no2)sc1C(=O)NCc1ccccc1
InChIInChI=1S/C23H21N3O2S/c1-16-21(22(27)24-15-18-10-6-3-7-11-18)29-23(25-16)20-14-19(26-28-20)13-12-17-8-4-2-5-9-17/h2-11,14H,12-13,15H2,1H3,(H,24,27)
InChIKeyDJRPRSHYPTUPDH-UHFFFAOYSA-N
XLogP4.82
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.51
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-4-methyl-2-[3-(2-phenylethyl)-1,2-oxazol-5-yl]-1,3-thiazole-5-carboxamide?
The IUPAC name of N-benzyl-4-methyl-2-[3-(2-phenylethyl)-1,2-oxazol-5-yl]-1,3-thiazole-5-carboxamide (CID 24960063) is N-benzyl-4-methyl-2-[3-(2-phenylethyl)-1,2-oxazol-5-yl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-benzyl-4-methyl-2-[3-(2-phenylethyl)-1,2-oxazol-5-yl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-benzyl-4-methyl-2-[3-(2-phenylethyl)-1,2-oxazol-5-yl]-1,3-thiazole-5-carboxamide is Cc1nc(-c2cc(CCc3ccccc3)no2)sc1C(=O)NCc1ccccc1.
What is the InChIKey of N-benzyl-4-methyl-2-[3-(2-phenylethyl)-1,2-oxazol-5-yl]-1,3-thiazole-5-carboxamide?
The InChIKey is DJRPRSHYPTUPDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3O2S/c1-16-21(22(27)24-15-18-10-6-3-7-11-18)29-23(25-16)20-14-19(26-28-20)13-12-17-8-4-2-5-9-17/h2-11,14H,12-13,15H2,1H3,(H,24,27).
What are the key properties of N-benzyl-4-methyl-2-[3-(2-phenylethyl)-1,2-oxazol-5-yl]-1,3-thiazole-5-carboxamide?
N-benzyl-4-methyl-2-[3-(2-phenylethyl)-1,2-oxazol-5-yl]-1,3-thiazole-5-carboxamide has a molecular weight of 403.51 g/mol, XLogP of 4.82, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-4-methyl-2-[3-(2-phenylethyl)-1,2-oxazol-5-yl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 24960063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).