2-(5,6-dichloro-3-oxo-1,2-benzoxazol-2-yl)-N-(3-methyl-1,2-oxazol-5-yl)acetamide

C13H9Cl2N3O4 — CID 167744246

IUPAC2-(5,6-dichloro-3-oxo-1,2-benzoxazol-2-yl)-N-(3-methyl-1,2-oxazol-5-yl)acetamide
SMILESCc1cc(NC(=O)Cn2oc3cc(Cl)c(Cl)cc3c2=O)on1
InChIInChI=1S/C13H9Cl2N3O4/c1-6-2-12(21-17-6)16-11(19)5-18-13(20)7-3-8(14)9(15)4-10(7)22-18/h2-4H,5H2,1H3,(H,16,19)
InChIKeyBAKMUQSFUXVTED-UHFFFAOYSA-N
MW342.14 g/mol
LogP2.84
Rot. Bonds3

About 2-(5,6-dichloro-3-oxo-1,2-benzoxazol-2-yl)-N-(3-methyl-1,2-oxazol-5-yl)acetamide

2-(5,6-dichloro-3-oxo-1,2-benzoxazol-2-yl)-N-(3-methyl-1,2-oxazol-5-yl)acetamide (PubChem CID 167744246) has the molecular formula C13H9Cl2N3O4 and a molecular weight of 342.14 g/mol. Its IUPAC name is 2-(5,6-dichloro-3-oxo-1,2-benzoxazol-2-yl)-N-(3-methyl-1,2-oxazol-5-yl)acetamide.

Molecular Properties

Compound Name2-(5,6-dichloro-3-oxo-1,2-benzoxazol-2-yl)-N-(3-methyl-1,2-oxazol-5-yl)acetamide
PubChem CID167744246
Molecular FormulaC13H9Cl2N3O4
Molecular Weight342.14 g/mol
Exact Mass341.00
IUPAC Name2-(5,6-dichloro-3-oxo-1,2-benzoxazol-2-yl)-N-(3-methyl-1,2-oxazol-5-yl)acetamide
SMILESCc1cc(NC(=O)Cn2oc3cc(Cl)c(Cl)cc3c2=O)on1
InChIInChI=1S/C13H9Cl2N3O4/c1-6-2-12(21-17-6)16-11(19)5-18-13(20)7-3-8(14)9(15)4-10(7)22-18/h2-4H,5H2,1H3,(H,16,19)
InChIKeyBAKMUQSFUXVTED-UHFFFAOYSA-N
XLogP2.84
TPSA90.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.14
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(6-chloro-4-oxo-1,2,3-benzotriazin-3-yl)-N-(3-methyl-1,2-oxazol-5-yl)acetamide
CID 146148147
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CID 16596717
N-(3-methyl-1,2-oxazol-5-yl)-2-morpholin-4-ylacetamide
CID 3045297
N-(3-methyl-1,2-oxazol-5-yl)-2-piperazin-1-ylacetamide
CID 43130598
2-(1,1-dioxo-1,4-thiazinan-4-yl)-N-(3-methyl-1,2-oxazol-5-yl)acetamide
CID 87037493
2-(3-chloro-4-fluoroanilino)-N-(3-methyl-1,2-oxazol-5-yl)acetamide
CID 31678260
4-amino-3-methyl-N-(3-methyl-1,2-oxazol-5-yl)butanamide
CID 81071258
2-[(3-methyl-1,2-oxazol-5-yl)amino]-2-oxoacetic acid
CID 43444914
2-(3,5-dimethylpiperazin-1-yl)-N-(3-methyl-1,2-oxazol-5-yl)acetamide;hydrochloride
CID 119924199
2-(1-cyclopropyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-N-(3-methyl-1,2-oxazol-5-yl)acetamide
CID 146148144
[2-[(3-methyl-1,2-oxazol-5-yl)amino]-2-oxoethyl] 2,3-dichlorobenzoate
CID 18128883
2-(2,5-dichlorophenoxy)-N-(3-methyl-1,2-oxazol-5-yl)acetamide
CID 17445480

Frequently Asked Questions

What is the IUPAC name of 2-(5,6-dichloro-3-oxo-1,2-benzoxazol-2-yl)-N-(3-methyl-1,2-oxazol-5-yl)acetamide?
The IUPAC name of 2-(5,6-dichloro-3-oxo-1,2-benzoxazol-2-yl)-N-(3-methyl-1,2-oxazol-5-yl)acetamide (CID 167744246) is 2-(5,6-dichloro-3-oxo-1,2-benzoxazol-2-yl)-N-(3-methyl-1,2-oxazol-5-yl)acetamide.
What is the SMILES notation for 2-(5,6-dichloro-3-oxo-1,2-benzoxazol-2-yl)-N-(3-methyl-1,2-oxazol-5-yl)acetamide?
The canonical SMILES for 2-(5,6-dichloro-3-oxo-1,2-benzoxazol-2-yl)-N-(3-methyl-1,2-oxazol-5-yl)acetamide is Cc1cc(NC(=O)Cn2oc3cc(Cl)c(Cl)cc3c2=O)on1.
What is the InChIKey of 2-(5,6-dichloro-3-oxo-1,2-benzoxazol-2-yl)-N-(3-methyl-1,2-oxazol-5-yl)acetamide?
The InChIKey is BAKMUQSFUXVTED-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9Cl2N3O4/c1-6-2-12(21-17-6)16-11(19)5-18-13(20)7-3-8(14)9(15)4-10(7)22-18/h2-4H,5H2,1H3,(H,16,19).
What are the key properties of 2-(5,6-dichloro-3-oxo-1,2-benzoxazol-2-yl)-N-(3-methyl-1,2-oxazol-5-yl)acetamide?
2-(5,6-dichloro-3-oxo-1,2-benzoxazol-2-yl)-N-(3-methyl-1,2-oxazol-5-yl)acetamide has a molecular weight of 342.14 g/mol, XLogP of 2.84, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5,6-dichloro-3-oxo-1,2-benzoxazol-2-yl)-N-(3-methyl-1,2-oxazol-5-yl)acetamide is sourced from PubChem (CID 167744246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).