2-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide

C17H12ClN3O4S — CID 4249852

IUPAC2-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide
SMILESCOc1ccc2nc(NC(=O)Cn3c(=O)oc4cc(Cl)ccc43)sc2c1
InChIInChI=1S/C17H12ClN3O4S/c1-24-10-3-4-11-14(7-10)26-16(19-11)20-15(22)8-21-12-5-2-9(18)6-13(12)25-17(21)23/h2-7H,8H2,1H3,(H,19,20,22)
InChIKeySOLVVPZGFOWSSC-UHFFFAOYSA-N
MW389.82 g/mol
LogP3.50
Rot. Bonds4

About 2-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide

2-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide (PubChem CID 4249852) has the molecular formula C17H12ClN3O4S and a molecular weight of 389.82 g/mol. Its IUPAC name is 2-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide
PubChem CID4249852
Molecular FormulaC17H12ClN3O4S
Molecular Weight389.82 g/mol
Exact Mass389.02
IUPAC Name2-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide
SMILESCOc1ccc2nc(NC(=O)Cn3c(=O)oc4cc(Cl)ccc43)sc2c1
InChIInChI=1S/C17H12ClN3O4S/c1-24-10-3-4-11-14(7-10)26-16(19-11)20-15(22)8-21-12-5-2-9(18)6-13(12)25-17(21)23/h2-7H,8H2,1H3,(H,19,20,22)
InChIKeySOLVVPZGFOWSSC-UHFFFAOYSA-N
XLogP3.50
TPSA86.36 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.82
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 4608315
2-(4-chlorophenyl)-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide
CID 708592
2-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-methylacetamide
CID 8986285
N-(6-methoxy-1,3-benzothiazol-2-yl)propanamide
CID 718596
2-(8-chloro-1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide
CID 30301241
3-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-(4-methoxyphenyl)propanamide
CID 9138610
N-(6-chloro-1,3-benzothiazol-2-yl)-4-(4-methoxyphenoxy)butanamide
CID 108761865
2-(4-chlorophenyl)sulfanyl-N'-(6-methoxy-1,3-benzothiazol-2-yl)acetohydrazide
CID 7600488
2-(3,4-dichlorophenyl)-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide
CID 2596997
N-(6-methoxy-1,3-benzothiazol-2-yl)-2-[3-(4-methoxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]acetamide
CID 35993490
2-[3-(4-chlorophenyl)-4-oxo-[1,2]oxazolo[5,4-d]pyrimidin-5-yl]-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide
CID 22334782
N-(6-methoxy-1,3-benzothiazol-2-yl)-3-pyrrol-1-ylpropanamide
CID 3237471

Frequently Asked Questions

What is the IUPAC name of 2-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide?
The IUPAC name of 2-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide (CID 4249852) is 2-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide.
What is the SMILES notation for 2-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide?
The canonical SMILES for 2-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide is COc1ccc2nc(NC(=O)Cn3c(=O)oc4cc(Cl)ccc43)sc2c1.
What is the InChIKey of 2-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide?
The InChIKey is SOLVVPZGFOWSSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12ClN3O4S/c1-24-10-3-4-11-14(7-10)26-16(19-11)20-15(22)8-21-12-5-2-9(18)6-13(12)25-17(21)23/h2-7H,8H2,1H3,(H,19,20,22).
What are the key properties of 2-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide?
2-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide has a molecular weight of 389.82 g/mol, XLogP of 3.50, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide is sourced from PubChem (CID 4249852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).