N-(4-cyanophenyl)-4-ethylsulfanyl-5-methyl-3-oxo-N-propan-2-yl-1,2-oxazole-2-carboxamide

C17H19N3O3S — CID 10736297

IUPACN-(4-cyanophenyl)-4-ethylsulfanyl-5-methyl-3-oxo-N-propan-2-yl-1,2-oxazole-2-carboxamide
SMILESCCSc1c(C)on(C(=O)N(c2ccc(C#N)cc2)C(C)C)c1=O
InChIInChI=1S/C17H19N3O3S/c1-5-24-15-12(4)23-20(16(15)21)17(22)19(11(2)3)14-8-6-13(10-18)7-9-14/h6-9,11H,5H2,1-4H3
InChIKeyQDHMNMCNLJZEJP-UHFFFAOYSA-N
MW345.42 g/mol
LogP3.62
Rot. Bonds4

About N-(4-cyanophenyl)-4-ethylsulfanyl-5-methyl-3-oxo-N-propan-2-yl-1,2-oxazole-2-carboxamide

N-(4-cyanophenyl)-4-ethylsulfanyl-5-methyl-3-oxo-N-propan-2-yl-1,2-oxazole-2-carboxamide (PubChem CID 10736297) has the molecular formula C17H19N3O3S and a molecular weight of 345.42 g/mol. Its IUPAC name is N-(4-cyanophenyl)-4-ethylsulfanyl-5-methyl-3-oxo-N-propan-2-yl-1,2-oxazole-2-carboxamide.

Molecular Properties

Compound NameN-(4-cyanophenyl)-4-ethylsulfanyl-5-methyl-3-oxo-N-propan-2-yl-1,2-oxazole-2-carboxamide
PubChem CID10736297
Molecular FormulaC17H19N3O3S
Molecular Weight345.42 g/mol
Exact Mass345.11
IUPAC NameN-(4-cyanophenyl)-4-ethylsulfanyl-5-methyl-3-oxo-N-propan-2-yl-1,2-oxazole-2-carboxamide
SMILESCCSc1c(C)on(C(=O)N(c2ccc(C#N)cc2)C(C)C)c1=O
InChIInChI=1S/C17H19N3O3S/c1-5-24-15-12(4)23-20(16(15)21)17(22)19(11(2)3)14-8-6-13(10-18)7-9-14/h6-9,11H,5H2,1-4H3
InChIKeyQDHMNMCNLJZEJP-UHFFFAOYSA-N
XLogP3.62
TPSA79.24 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.42
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(4-cyanophenyl)-4-ethylsulfanyl-5-methyl-3-oxo-N-propan-2-yl-1,2-oxazole-2-carboxamide?
The IUPAC name of N-(4-cyanophenyl)-4-ethylsulfanyl-5-methyl-3-oxo-N-propan-2-yl-1,2-oxazole-2-carboxamide (CID 10736297) is N-(4-cyanophenyl)-4-ethylsulfanyl-5-methyl-3-oxo-N-propan-2-yl-1,2-oxazole-2-carboxamide.
What is the SMILES notation for N-(4-cyanophenyl)-4-ethylsulfanyl-5-methyl-3-oxo-N-propan-2-yl-1,2-oxazole-2-carboxamide?
The canonical SMILES for N-(4-cyanophenyl)-4-ethylsulfanyl-5-methyl-3-oxo-N-propan-2-yl-1,2-oxazole-2-carboxamide is CCSc1c(C)on(C(=O)N(c2ccc(C#N)cc2)C(C)C)c1=O.
What is the InChIKey of N-(4-cyanophenyl)-4-ethylsulfanyl-5-methyl-3-oxo-N-propan-2-yl-1,2-oxazole-2-carboxamide?
The InChIKey is QDHMNMCNLJZEJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O3S/c1-5-24-15-12(4)23-20(16(15)21)17(22)19(11(2)3)14-8-6-13(10-18)7-9-14/h6-9,11H,5H2,1-4H3.
What are the key properties of N-(4-cyanophenyl)-4-ethylsulfanyl-5-methyl-3-oxo-N-propan-2-yl-1,2-oxazole-2-carboxamide?
N-(4-cyanophenyl)-4-ethylsulfanyl-5-methyl-3-oxo-N-propan-2-yl-1,2-oxazole-2-carboxamide has a molecular weight of 345.42 g/mol, XLogP of 3.62, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyanophenyl)-4-ethylsulfanyl-5-methyl-3-oxo-N-propan-2-yl-1,2-oxazole-2-carboxamide is sourced from PubChem (CID 10736297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).