N-[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide

C19H14ClN3O3S — CID 1259843

IUPACN-[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
SMILESCc1sc(NC(=O)Cn2c(=O)oc3ccccc32)nc1-c1ccc(Cl)cc1
InChIInChI=1S/C19H14ClN3O3S/c1-11-17(12-6-8-13(20)9-7-12)22-18(27-11)21-16(24)10-23-14-4-2-3-5-15(14)26-19(23)25/h2-9H,10H2,1H3,(H,21,22,24)
InChIKeyDURKTJCJOHPJHG-UHFFFAOYSA-N
MW399.86 g/mol
LogP4.32
Rot. Bonds4

About N-[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide

N-[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide (PubChem CID 1259843) has the molecular formula C19H14ClN3O3S and a molecular weight of 399.86 g/mol. Its IUPAC name is N-[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide.

Molecular Properties

Compound NameN-[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
PubChem CID1259843
Molecular FormulaC19H14ClN3O3S
Molecular Weight399.86 g/mol
Exact Mass399.04
IUPAC NameN-[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
SMILESCc1sc(NC(=O)Cn2c(=O)oc3ccccc32)nc1-c1ccc(Cl)cc1
InChIInChI=1S/C19H14ClN3O3S/c1-11-17(12-6-8-13(20)9-7-12)22-18(27-11)21-16(24)10-23-14-4-2-3-5-15(14)26-19(23)25/h2-9H,10H2,1H3,(H,21,22,24)
InChIKeyDURKTJCJOHPJHG-UHFFFAOYSA-N
XLogP4.32
TPSA77.13 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.86
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide?
The IUPAC name of N-[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide (CID 1259843) is N-[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide.
What is the SMILES notation for N-[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide?
The canonical SMILES for N-[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide is Cc1sc(NC(=O)Cn2c(=O)oc3ccccc32)nc1-c1ccc(Cl)cc1.
What is the InChIKey of N-[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide?
The InChIKey is DURKTJCJOHPJHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14ClN3O3S/c1-11-17(12-6-8-13(20)9-7-12)22-18(27-11)21-16(24)10-23-14-4-2-3-5-15(14)26-19(23)25/h2-9H,10H2,1H3,(H,21,22,24).
What are the key properties of N-[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide?
N-[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide has a molecular weight of 399.86 g/mol, XLogP of 4.32, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide is sourced from PubChem (CID 1259843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).