2-amino-3-chloro-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]benzamide

C11H11ClN4O2 — CID 113331710

IUPAC2-amino-3-chloro-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]benzamide
SMILESCc1noc(CNC(=O)c2cccc(Cl)c2N)n1
InChIInChI=1S/C11H11ClN4O2/c1-6-15-9(18-16-6)5-14-11(17)7-3-2-4-8(12)10(7)13/h2-4H,5,13H2,1H3,(H,14,17)
InChIKeyDRXXSUOYWIUHLQ-UHFFFAOYSA-N
MW266.69 g/mol
LogP1.54
Rot. Bonds3

About 2-amino-3-chloro-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]benzamide

2-amino-3-chloro-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]benzamide (PubChem CID 113331710) has the molecular formula C11H11ClN4O2 and a molecular weight of 266.69 g/mol. Its IUPAC name is 2-amino-3-chloro-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]benzamide.

Molecular Properties

Compound Name2-amino-3-chloro-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]benzamide
PubChem CID113331710
Molecular FormulaC11H11ClN4O2
Molecular Weight266.69 g/mol
Exact Mass266.06
IUPAC Name2-amino-3-chloro-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]benzamide
SMILESCc1noc(CNC(=O)c2cccc(Cl)c2N)n1
InChIInChI=1S/C11H11ClN4O2/c1-6-15-9(18-16-6)5-14-11(17)7-3-2-4-8(12)10(7)13/h2-4H,5,13H2,1H3,(H,14,17)
InChIKeyDRXXSUOYWIUHLQ-UHFFFAOYSA-N
XLogP1.54
TPSA94.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.69
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-amino-3,5-dichloro-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]benzamide
CID 82832642
6-amino-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyridine-2-carboxamide
CID 55052629
1-chloro-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]isoquinoline-4-carboxamide
CID 106766043
2-amino-3-chloro-N-(1,2-oxazol-3-ylmethyl)benzamide
CID 113331820
N-[(2-chlorophenyl)methyl]-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]benzamide
CID 31927874
3-hydrazinyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-2-nitrobenzamide
CID 115549495
5-amino-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyridine-2-carboxamide
CID 81316418
2-fluoro-6-hydroxy-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]benzamide
CID 104917845
3-chloro-6-(ethylamino)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyridine-2-carboxamide
CID 62178076
2-amino-3-chloro-N-[(3-methyl-4-pyridinyl)methyl]benzamide
CID 114698206
5-amino-2-methoxy-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]benzamide
CID 61141152
2-amino-3-chloro-N-[(5-chlorothiophen-2-yl)methyl]benzamide
CID 115540742

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-chloro-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]benzamide?
The IUPAC name of 2-amino-3-chloro-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]benzamide (CID 113331710) is 2-amino-3-chloro-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]benzamide.
What is the SMILES notation for 2-amino-3-chloro-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]benzamide?
The canonical SMILES for 2-amino-3-chloro-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]benzamide is Cc1noc(CNC(=O)c2cccc(Cl)c2N)n1.
What is the InChIKey of 2-amino-3-chloro-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]benzamide?
The InChIKey is DRXXSUOYWIUHLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN4O2/c1-6-15-9(18-16-6)5-14-11(17)7-3-2-4-8(12)10(7)13/h2-4H,5,13H2,1H3,(H,14,17).
What are the key properties of 2-amino-3-chloro-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]benzamide?
2-amino-3-chloro-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]benzamide has a molecular weight of 266.69 g/mol, XLogP of 1.54, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-chloro-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]benzamide is sourced from PubChem (CID 113331710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).