N-(2,5-dichlorophenyl)-4-methyl-1,2,5-oxadiazole-3-carboxamide

C10H7Cl2N3O2 — CID 110692026

IUPACN-(2,5-dichlorophenyl)-4-methyl-1,2,5-oxadiazole-3-carboxamide
SMILESCc1nonc1C(=O)Nc1cc(Cl)ccc1Cl
InChIInChI=1S/C10H7Cl2N3O2/c1-5-9(15-17-14-5)10(16)13-8-4-6(11)2-3-7(8)12/h2-4H,1H3,(H,13,16)
InChIKeyKLTGXLRRTQNLIM-UHFFFAOYSA-N
MW272.09 g/mol
LogP2.94
Rot. Bonds2

About N-(2,5-dichlorophenyl)-4-methyl-1,2,5-oxadiazole-3-carboxamide

N-(2,5-dichlorophenyl)-4-methyl-1,2,5-oxadiazole-3-carboxamide (PubChem CID 110692026) has the molecular formula C10H7Cl2N3O2 and a molecular weight of 272.09 g/mol. Its IUPAC name is N-(2,5-dichlorophenyl)-4-methyl-1,2,5-oxadiazole-3-carboxamide.

Molecular Properties

Compound NameN-(2,5-dichlorophenyl)-4-methyl-1,2,5-oxadiazole-3-carboxamide
PubChem CID110692026
Molecular FormulaC10H7Cl2N3O2
Molecular Weight272.09 g/mol
Exact Mass270.99
IUPAC NameN-(2,5-dichlorophenyl)-4-methyl-1,2,5-oxadiazole-3-carboxamide
SMILESCc1nonc1C(=O)Nc1cc(Cl)ccc1Cl
InChIInChI=1S/C10H7Cl2N3O2/c1-5-9(15-17-14-5)10(16)13-8-4-6(11)2-3-7(8)12/h2-4H,1H3,(H,13,16)
InChIKeyKLTGXLRRTQNLIM-UHFFFAOYSA-N
XLogP2.94
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.09
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(2,5-dichlorophenyl)-4-methyl-1,2,5-oxadiazole-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[4-chloro-2-(trifluoromethyl)phenyl]-4-methyl-1,2,5-oxadiazole-3-carboxamide
CID 110692014
N-(2,5-dichlorophenyl)-4-methyl-1,2-oxazole-3-carboxamide
CID 110864101
N-(4-chloro-2,5-dimethoxyphenyl)-4-methyl-1,2,5-oxadiazole-3-carboxamide
CID 110692030
N-(2,5-dichlorophenyl)-2,6-dimethylpyrimidine-4-carboxamide
CID 110864118
N-(2,5-dichlorophenyl)-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide
CID 5307719
4-amino-N-(5-chloro-2-methoxyphenyl)-1,2,5-oxadiazole-3-carboxamide
CID 62688661
4-methyl-N-(5-methyl-1,2-oxazol-3-yl)-1,2,5-oxadiazole-3-carboxamide
CID 110692041
2-N,6-N-bis(2,5-dichlorophenyl)pyridine-2,6-dicarboxamide
CID 4104861
4-amino-N-(2,5-dichlorophenyl)-1,2,5-oxadiazole-3-carbothioamide
CID 58558194
N-(2,5-dichlorophenyl)-1,5-dimethylpyrazole-4-carboxamide
CID 110864104
4-chloro-N-(5-chloro-2-hydroxyphenyl)-3-methyl-1,2-oxazole-5-carboxamide
CID 17095605
4-amino-N-(2-chloro-4-methylphenyl)-1,2,5-oxadiazole-3-carboxamide
CID 62687766

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dichlorophenyl)-4-methyl-1,2,5-oxadiazole-3-carboxamide?
The IUPAC name of N-(2,5-dichlorophenyl)-4-methyl-1,2,5-oxadiazole-3-carboxamide (CID 110692026) is N-(2,5-dichlorophenyl)-4-methyl-1,2,5-oxadiazole-3-carboxamide.
What is the SMILES notation for N-(2,5-dichlorophenyl)-4-methyl-1,2,5-oxadiazole-3-carboxamide?
The canonical SMILES for N-(2,5-dichlorophenyl)-4-methyl-1,2,5-oxadiazole-3-carboxamide is Cc1nonc1C(=O)Nc1cc(Cl)ccc1Cl.
What is the InChIKey of N-(2,5-dichlorophenyl)-4-methyl-1,2,5-oxadiazole-3-carboxamide?
The InChIKey is KLTGXLRRTQNLIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7Cl2N3O2/c1-5-9(15-17-14-5)10(16)13-8-4-6(11)2-3-7(8)12/h2-4H,1H3,(H,13,16).
What are the key properties of N-(2,5-dichlorophenyl)-4-methyl-1,2,5-oxadiazole-3-carboxamide?
N-(2,5-dichlorophenyl)-4-methyl-1,2,5-oxadiazole-3-carboxamide has a molecular weight of 272.09 g/mol, XLogP of 2.94, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dichlorophenyl)-4-methyl-1,2,5-oxadiazole-3-carboxamide is sourced from PubChem (CID 110692026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).