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

C16H13Cl2N3O2S — CID 1245910

IUPACN-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide
SMILESCCc1noc(C)c1C(=O)Nc1nc(-c2ccc(Cl)cc2Cl)cs1
InChIInChI=1S/C16H13Cl2N3O2S/c1-3-12-14(8(2)23-21-12)15(22)20-16-19-13(7-24-16)10-5-4-9(17)6-11(10)18/h4-7H,3H2,1-2H3,(H,19,20,22)
InChIKeyGJGKXTOKIGYDGX-UHFFFAOYSA-N
MW382.27 g/mol
LogP5.23
Rot. Bonds4

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

N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide (PubChem CID 1245910) has the molecular formula C16H13Cl2N3O2S and a molecular weight of 382.27 g/mol. Its IUPAC name is N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide
PubChem CID1245910
Molecular FormulaC16H13Cl2N3O2S
Molecular Weight382.27 g/mol
Exact Mass381.01
IUPAC NameN-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide
SMILESCCc1noc(C)c1C(=O)Nc1nc(-c2ccc(Cl)cc2Cl)cs1
InChIInChI=1S/C16H13Cl2N3O2S/c1-3-12-14(8(2)23-21-12)15(22)20-16-19-13(7-24-16)10-5-4-9(17)6-11(10)18/h4-7H,3H2,1-2H3,(H,19,20,22)
InChIKeyGJGKXTOKIGYDGX-UHFFFAOYSA-N
XLogP5.23
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.27
LogP ≤ 55.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide?
The IUPAC name of N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide (CID 1245910) is N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide?
The canonical SMILES for N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide is CCc1noc(C)c1C(=O)Nc1nc(-c2ccc(Cl)cc2Cl)cs1.
What is the InChIKey of N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide?
The InChIKey is GJGKXTOKIGYDGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13Cl2N3O2S/c1-3-12-14(8(2)23-21-12)15(22)20-16-19-13(7-24-16)10-5-4-9(17)6-11(10)18/h4-7H,3H2,1-2H3,(H,19,20,22).
What are the key properties of N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide?
N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide has a molecular weight of 382.27 g/mol, XLogP of 5.23, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 1245910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).