N-[1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)ethyl]-5-phenyl-1,2-oxazole-3-carboxamide

C22H19N3O2S — CID 60568808

IUPACN-[1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)ethyl]-5-phenyl-1,2-oxazole-3-carboxamide
SMILESCc1nc(-c2ccccc2)sc1C(C)NC(=O)c1cc(-c2ccccc2)on1
InChIInChI=1S/C22H19N3O2S/c1-14(20-15(2)24-22(28-20)17-11-7-4-8-12-17)23-21(26)18-13-19(27-25-18)16-9-5-3-6-10-16/h3-14H,1-2H3,(H,23,26)
InChIKeyLYQKDJPMFBBAAN-UHFFFAOYSA-N
MW389.48 g/mol
LogP5.26
Rot. Bonds5

About N-[1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)ethyl]-5-phenyl-1,2-oxazole-3-carboxamide

N-[1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)ethyl]-5-phenyl-1,2-oxazole-3-carboxamide (PubChem CID 60568808) has the molecular formula C22H19N3O2S and a molecular weight of 389.48 g/mol. Its IUPAC name is N-[1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)ethyl]-5-phenyl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)ethyl]-5-phenyl-1,2-oxazole-3-carboxamide
PubChem CID60568808
Molecular FormulaC22H19N3O2S
Molecular Weight389.48 g/mol
Exact Mass389.12
IUPAC NameN-[1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)ethyl]-5-phenyl-1,2-oxazole-3-carboxamide
SMILESCc1nc(-c2ccccc2)sc1C(C)NC(=O)c1cc(-c2ccccc2)on1
InChIInChI=1S/C22H19N3O2S/c1-14(20-15(2)24-22(28-20)17-11-7-4-8-12-17)23-21(26)18-13-19(27-25-18)16-9-5-3-6-10-16/h3-14H,1-2H3,(H,23,26)
InChIKeyLYQKDJPMFBBAAN-UHFFFAOYSA-N
XLogP5.26
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.48
LogP ≤ 55.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-methyl-N-[1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)ethyl]butanamide
CID 60568920
N-[(1R)-1-[4-methyl-2-(4-methylphenyl)-1,3-thiazol-5-yl]ethyl]thiadiazole-4-carboxamide
CID 95616290
(2S)-2-amino-3,3-dimethyl-N-[1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)ethyl]butanamide
CID 119750100
2,2-dimethyl-4-[1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)ethylamino]-4-oxobutanoic acid
CID 119133695
1-amino-N-[1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)ethyl]cyclopropane-1-carboxamide;hydrochloride
CID 119750075
4-methyl-2-phenyl-N-[(1R)-1-phenylethyl]-1,3-thiazole-5-carboxamide
CID 9123977
N-pentan-2-yl-5-phenyl-1,2-oxazole-3-carboxamide
CID 133149969
N-[(1S)-1-(4-methylsulfonylphenyl)ethyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 31883285
(2S)-2-amino-3,3-dimethyl-N-[1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)ethyl]butanamide;hydrochloride
CID 119750099
6-methyl-N-[1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)ethyl]-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 60568891
5-(3,4-dimethylphenyl)-N-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]-1,2-oxazole-3-carboxamide
CID 172898296
2-(cyclopropylmethylamino)-N-[1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)ethyl]acetamide
CID 119750102

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)ethyl]-5-phenyl-1,2-oxazole-3-carboxamide?
The IUPAC name of N-[1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)ethyl]-5-phenyl-1,2-oxazole-3-carboxamide (CID 60568808) is N-[1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)ethyl]-5-phenyl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-[1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)ethyl]-5-phenyl-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)ethyl]-5-phenyl-1,2-oxazole-3-carboxamide is Cc1nc(-c2ccccc2)sc1C(C)NC(=O)c1cc(-c2ccccc2)on1.
What is the InChIKey of N-[1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)ethyl]-5-phenyl-1,2-oxazole-3-carboxamide?
The InChIKey is LYQKDJPMFBBAAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3O2S/c1-14(20-15(2)24-22(28-20)17-11-7-4-8-12-17)23-21(26)18-13-19(27-25-18)16-9-5-3-6-10-16/h3-14H,1-2H3,(H,23,26).
What are the key properties of N-[1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)ethyl]-5-phenyl-1,2-oxazole-3-carboxamide?
N-[1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)ethyl]-5-phenyl-1,2-oxazole-3-carboxamide has a molecular weight of 389.48 g/mol, XLogP of 5.26, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)ethyl]-5-phenyl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 60568808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).