2-(6-chloro-4-oxo-1,2,3-benzotriazin-3-yl)-N-(3-methyl-1,2-oxazol-5-yl)acetamide

C13H10ClN5O3 — CID 146148147

IUPAC2-(6-chloro-4-oxo-1,2,3-benzotriazin-3-yl)-N-(3-methyl-1,2-oxazol-5-yl)acetamide
SMILESCc1cc(NC(=O)Cn2nnc3ccc(Cl)cc3c2=O)on1
InChIInChI=1S/C13H10ClN5O3/c1-7-4-12(22-17-7)15-11(20)6-19-13(21)9-5-8(14)2-3-10(9)16-18-19/h2-5H,6H2,1H3,(H,15,20)
InChIKeyLAWQHJFKXQDPRA-UHFFFAOYSA-N
MW319.71 g/mol
LogP1.38
Rot. Bonds3

About 2-(6-chloro-4-oxo-1,2,3-benzotriazin-3-yl)-N-(3-methyl-1,2-oxazol-5-yl)acetamide

2-(6-chloro-4-oxo-1,2,3-benzotriazin-3-yl)-N-(3-methyl-1,2-oxazol-5-yl)acetamide (PubChem CID 146148147) has the molecular formula C13H10ClN5O3 and a molecular weight of 319.71 g/mol. Its IUPAC name is 2-(6-chloro-4-oxo-1,2,3-benzotriazin-3-yl)-N-(3-methyl-1,2-oxazol-5-yl)acetamide.

Molecular Properties

Compound Name2-(6-chloro-4-oxo-1,2,3-benzotriazin-3-yl)-N-(3-methyl-1,2-oxazol-5-yl)acetamide
PubChem CID146148147
Molecular FormulaC13H10ClN5O3
Molecular Weight319.71 g/mol
Exact Mass319.05
IUPAC Name2-(6-chloro-4-oxo-1,2,3-benzotriazin-3-yl)-N-(3-methyl-1,2-oxazol-5-yl)acetamide
SMILESCc1cc(NC(=O)Cn2nnc3ccc(Cl)cc3c2=O)on1
InChIInChI=1S/C13H10ClN5O3/c1-7-4-12(22-17-7)15-11(20)6-19-13(21)9-5-8(14)2-3-10(9)16-18-19/h2-5H,6H2,1H3,(H,15,20)
InChIKeyLAWQHJFKXQDPRA-UHFFFAOYSA-N
XLogP1.38
TPSA102.91 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.71
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-(6-chloro-4-oxo-1,2,3-benzotriazin-3-yl)-N-[1-(4-methylphenyl)ethyl]acetamide
CID 121349573
2-(6-chloro-4-oxo-1,2,3-benzotriazin-3-yl)-N-[1-(4-methoxyphenyl)ethyl]acetamide
CID 121349692
6-chloro-3-[(4R)-4-(4-methylphenyl)-2-oxopentyl]-1,2,3-benzotriazin-4-one
CID 147196887
6-chloro-3-(chloromethyl)-1,2,3-benzotriazin-4-one
CID 606627
2-(6-methyl-4-oxo-1,2,3-benzotriazin-3-yl)-N-[1-(4-methylphenyl)ethyl]acetamide
CID 121349632
2-(5,6-dichloro-3-oxo-1,2-benzoxazol-2-yl)-N-(3-methyl-1,2-oxazol-5-yl)acetamide
CID 167744246
N-(2,6-dichlorophenyl)-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide
CID 2714538
N-(3-chloro-4-methylphenyl)-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide
CID 2550571
2-[4-(5-chloro-2-fluorobenzoyl)piperazin-1-yl]-N-(3-methyl-1,2-oxazol-5-yl)acetamide
CID 55842443
2-(2,5-dichlorophenoxy)-N-(3-methyl-1,2-oxazol-5-yl)acetamide
CID 17445480
N-[1-(4-chlorophenyl)propyl]-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide
CID 24600817
N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide
CID 17017854

Frequently Asked Questions

What is the IUPAC name of 2-(6-chloro-4-oxo-1,2,3-benzotriazin-3-yl)-N-(3-methyl-1,2-oxazol-5-yl)acetamide?
The IUPAC name of 2-(6-chloro-4-oxo-1,2,3-benzotriazin-3-yl)-N-(3-methyl-1,2-oxazol-5-yl)acetamide (CID 146148147) is 2-(6-chloro-4-oxo-1,2,3-benzotriazin-3-yl)-N-(3-methyl-1,2-oxazol-5-yl)acetamide.
What is the SMILES notation for 2-(6-chloro-4-oxo-1,2,3-benzotriazin-3-yl)-N-(3-methyl-1,2-oxazol-5-yl)acetamide?
The canonical SMILES for 2-(6-chloro-4-oxo-1,2,3-benzotriazin-3-yl)-N-(3-methyl-1,2-oxazol-5-yl)acetamide is Cc1cc(NC(=O)Cn2nnc3ccc(Cl)cc3c2=O)on1.
What is the InChIKey of 2-(6-chloro-4-oxo-1,2,3-benzotriazin-3-yl)-N-(3-methyl-1,2-oxazol-5-yl)acetamide?
The InChIKey is LAWQHJFKXQDPRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClN5O3/c1-7-4-12(22-17-7)15-11(20)6-19-13(21)9-5-8(14)2-3-10(9)16-18-19/h2-5H,6H2,1H3,(H,15,20).
What are the key properties of 2-(6-chloro-4-oxo-1,2,3-benzotriazin-3-yl)-N-(3-methyl-1,2-oxazol-5-yl)acetamide?
2-(6-chloro-4-oxo-1,2,3-benzotriazin-3-yl)-N-(3-methyl-1,2-oxazol-5-yl)acetamide has a molecular weight of 319.71 g/mol, XLogP of 1.38, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-chloro-4-oxo-1,2,3-benzotriazin-3-yl)-N-(3-methyl-1,2-oxazol-5-yl)acetamide is sourced from PubChem (CID 146148147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).