4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethylamino]-1,1-dioxo-5-phenyl-2-propan-2-yl-1,2-thiazol-3-one

C19H23N3O4S — CID 67244428

IUPAC4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethylamino]-1,1-dioxo-5-phenyl-2-propan-2-yl-1,2-thiazol-3-one
SMILESCc1noc(C)c1CCNC1=C(c2ccccc2)S(=O)(=O)N(C(C)C)C1=O
InChIInChI=1S/C19H23N3O4S/c1-12(2)22-19(23)17(20-11-10-16-13(3)21-26-14(16)4)18(27(22,24)25)15-8-6-5-7-9-15/h5-9,12,20H,10-11H2,1-4H3
InChIKeyXLBCWAVUMVXHRT-UHFFFAOYSA-N
MW389.48 g/mol
LogP2.37
Rot. Bonds6

About 4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethylamino]-1,1-dioxo-5-phenyl-2-propan-2-yl-1,2-thiazol-3-one

4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethylamino]-1,1-dioxo-5-phenyl-2-propan-2-yl-1,2-thiazol-3-one (PubChem CID 67244428) has the molecular formula C19H23N3O4S and a molecular weight of 389.48 g/mol. Its IUPAC name is 4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethylamino]-1,1-dioxo-5-phenyl-2-propan-2-yl-1,2-thiazol-3-one.

Molecular Properties

Compound Name4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethylamino]-1,1-dioxo-5-phenyl-2-propan-2-yl-1,2-thiazol-3-one
PubChem CID67244428
Molecular FormulaC19H23N3O4S
Molecular Weight389.48 g/mol
Exact Mass389.14
IUPAC Name4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethylamino]-1,1-dioxo-5-phenyl-2-propan-2-yl-1,2-thiazol-3-one
SMILESCc1noc(C)c1CCNC1=C(c2ccccc2)S(=O)(=O)N(C(C)C)C1=O
InChIInChI=1S/C19H23N3O4S/c1-12(2)22-19(23)17(20-11-10-16-13(3)21-26-14(16)4)18(27(22,24)25)15-8-6-5-7-9-15/h5-9,12,20H,10-11H2,1-4H3
InChIKeyXLBCWAVUMVXHRT-UHFFFAOYSA-N
XLogP2.37
TPSA92.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.48
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

Glisolamide
CID 65713
3-ethyl-5-methyl-N-[2-(4-sulfamoylphenyl)ethyl]-1,2-oxazole-4-carboxamide
CID 24687486
5-methyl-N-[2-(4-sulfamoylphenyl)ethyl]-1,2-oxazole-3-carboxamide
CID 827440
5-Methyl-N-(1-phenylethyl)-1,2-oxazole-3-carboxamide
CID 3073021
N~2~-[(3,5-dimethylisoxazol-4-yl)sulfonyl]-N~1~-(4-ethylphenyl)glycinamide
CID 3241984
N-cyclohexyl-2-[N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-4-ethylanilino]acetamide
CID 4621413
N-(1-benzylpiperidin-4-yl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 5308247
1-({5-[(E)-2-(dimethylamino)vinyl]-3-methylisoxazol-4-yl}sulfonyl)-N-(1-phenylethyl)piperidine-3-carboxamide
CID 5771388
1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-(1-phenylbutan-2-yl)piperidine-4-carboxamide
CID 9550290
1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-[2-(3-methylphenyl)ethyl]piperidine-4-carboxamide
CID 9551047
1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-[2-(4-sulfamoylphenyl)ethyl]piperidine-4-carboxamide
CID 9551049
N-(1-benzylpiperidin-4-yl)-1-[(3,5-dimethylisoxazol-4-yl)sulfonyl]piperidine-4-carboxamide
CID 9551051

Frequently Asked Questions

What is the IUPAC name of 4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethylamino]-1,1-dioxo-5-phenyl-2-propan-2-yl-1,2-thiazol-3-one?
The IUPAC name of 4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethylamino]-1,1-dioxo-5-phenyl-2-propan-2-yl-1,2-thiazol-3-one (CID 67244428) is 4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethylamino]-1,1-dioxo-5-phenyl-2-propan-2-yl-1,2-thiazol-3-one.
What is the SMILES notation for 4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethylamino]-1,1-dioxo-5-phenyl-2-propan-2-yl-1,2-thiazol-3-one?
The canonical SMILES for 4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethylamino]-1,1-dioxo-5-phenyl-2-propan-2-yl-1,2-thiazol-3-one is Cc1noc(C)c1CCNC1=C(c2ccccc2)S(=O)(=O)N(C(C)C)C1=O.
What is the InChIKey of 4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethylamino]-1,1-dioxo-5-phenyl-2-propan-2-yl-1,2-thiazol-3-one?
The InChIKey is XLBCWAVUMVXHRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O4S/c1-12(2)22-19(23)17(20-11-10-16-13(3)21-26-14(16)4)18(27(22,24)25)15-8-6-5-7-9-15/h5-9,12,20H,10-11H2,1-4H3.
What are the key properties of 4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethylamino]-1,1-dioxo-5-phenyl-2-propan-2-yl-1,2-thiazol-3-one?
4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethylamino]-1,1-dioxo-5-phenyl-2-propan-2-yl-1,2-thiazol-3-one has a molecular weight of 389.48 g/mol, XLogP of 2.37, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethylamino]-1,1-dioxo-5-phenyl-2-propan-2-yl-1,2-thiazol-3-one is sourced from PubChem (CID 67244428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).