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

C18H17N3O3S — CID 25163854

IUPACN-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide
SMILESCCc1noc(C)c1C(=O)Nc1nc(-c2ccccc2)c(C(C)=O)s1
InChIInChI=1S/C18H17N3O3S/c1-4-13-14(11(3)24-21-13)17(23)20-18-19-15(16(25-18)10(2)22)12-8-6-5-7-9-12/h5-9H,4H2,1-3H3,(H,19,20,23)
InChIKeyHZMFVQUZXJDKQC-UHFFFAOYSA-N
MW355.42 g/mol
LogP4.12
Rot. Bonds5

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

N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide (PubChem CID 25163854) has the molecular formula C18H17N3O3S and a molecular weight of 355.42 g/mol. Its IUPAC name is N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide
PubChem CID25163854
Molecular FormulaC18H17N3O3S
Molecular Weight355.42 g/mol
Exact Mass355.10
IUPAC NameN-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide
SMILESCCc1noc(C)c1C(=O)Nc1nc(-c2ccccc2)c(C(C)=O)s1
InChIInChI=1S/C18H17N3O3S/c1-4-13-14(11(3)24-21-13)17(23)20-18-19-15(16(25-18)10(2)22)12-8-6-5-7-9-12/h5-9H,4H2,1-3H3,(H,19,20,23)
InChIKeyHZMFVQUZXJDKQC-UHFFFAOYSA-N
XLogP4.12
TPSA85.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.42
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide?
The IUPAC name of N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide (CID 25163854) is N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide?
The canonical SMILES for N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide is CCc1noc(C)c1C(=O)Nc1nc(-c2ccccc2)c(C(C)=O)s1.
What is the InChIKey of N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide?
The InChIKey is HZMFVQUZXJDKQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O3S/c1-4-13-14(11(3)24-21-13)17(23)20-18-19-15(16(25-18)10(2)22)12-8-6-5-7-9-12/h5-9H,4H2,1-3H3,(H,19,20,23).
What are the key properties of N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide?
N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide has a molecular weight of 355.42 g/mol, XLogP of 4.12, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 25163854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).