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

C12H12ClN3O4 — CID 110692030

IUPACN-(4-chloro-2,5-dimethoxyphenyl)-4-methyl-1,2,5-oxadiazole-3-carboxamide
SMILESCOc1cc(NC(=O)c2nonc2C)c(OC)cc1Cl
InChIInChI=1S/C12H12ClN3O4/c1-6-11(16-20-15-6)12(17)14-8-5-9(18-2)7(13)4-10(8)19-3/h4-5H,1-3H3,(H,14,17)
InChIKeyNVAJTGPFPKEYAP-UHFFFAOYSA-N
MW297.70 g/mol
LogP2.30
Rot. Bonds4

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

N-(4-chloro-2,5-dimethoxyphenyl)-4-methyl-1,2,5-oxadiazole-3-carboxamide (PubChem CID 110692030) has the molecular formula C12H12ClN3O4 and a molecular weight of 297.70 g/mol. Its IUPAC name is N-(4-chloro-2,5-dimethoxyphenyl)-4-methyl-1,2,5-oxadiazole-3-carboxamide.

Molecular Properties

Compound NameN-(4-chloro-2,5-dimethoxyphenyl)-4-methyl-1,2,5-oxadiazole-3-carboxamide
PubChem CID110692030
Molecular FormulaC12H12ClN3O4
Molecular Weight297.70 g/mol
Exact Mass297.05
IUPAC NameN-(4-chloro-2,5-dimethoxyphenyl)-4-methyl-1,2,5-oxadiazole-3-carboxamide
SMILESCOc1cc(NC(=O)c2nonc2C)c(OC)cc1Cl
InChIInChI=1S/C12H12ClN3O4/c1-6-11(16-20-15-6)12(17)14-8-5-9(18-2)7(13)4-10(8)19-3/h4-5H,1-3H3,(H,14,17)
InChIKeyNVAJTGPFPKEYAP-UHFFFAOYSA-N
XLogP2.30
TPSA86.48 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.70
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-chloro-2,5-dimethoxyphenyl)-4,5-dimethyl-1,2-oxazole-3-carboxamide
CID 110864454
N-(4-chloro-2,5-dimethoxyphenyl)-3,5-dimethylbenzamide
CID 918553
N-(4-chloro-2,5-dimethoxyphenyl)-2,4-dimethylpyrimidine-5-carboxamide
CID 92648532
N-(4-chloro-2,5-dimethoxyphenyl)-1,2-oxazole-5-carboxamide
CID 8003045
N-(4-chloro-2,5-dimethoxyphenyl)-1,3-oxazole-5-carboxamide
CID 96596464
3-bromo-N-(4-chloro-2,5-dimethoxyphenyl)pyridine-2-carboxamide
CID 107517707
4-amino-N-(4-chloro-2,5-dimethoxyphenyl)-1-methylpyrazole-3-carboxamide
CID 65355061
4-bromo-N-(4-chloro-2,5-dimethoxyphenyl)-1-methylpyrazole-3-carboxamide
CID 3404956
6-chloro-N-(4-chloro-2,5-dimethoxyphenyl)pyrazine-2-carboxamide
CID 103336862
N-(4-chloro-2,5-dimethoxyphenyl)-6-methylpyridine-3-carboxamide
CID 18149046
N-(4-chloro-2,5-dimethoxyphenyl)-N'-(4-chloro-2-methoxy-5-methylphenyl)oxamide
CID 108532266
ethyl 2-(4-chloro-2,5-dimethoxyanilino)-2-oxoacetate
CID 3311966

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2,5-dimethoxyphenyl)-4-methyl-1,2,5-oxadiazole-3-carboxamide?
The IUPAC name of N-(4-chloro-2,5-dimethoxyphenyl)-4-methyl-1,2,5-oxadiazole-3-carboxamide (CID 110692030) is N-(4-chloro-2,5-dimethoxyphenyl)-4-methyl-1,2,5-oxadiazole-3-carboxamide.
What is the SMILES notation for N-(4-chloro-2,5-dimethoxyphenyl)-4-methyl-1,2,5-oxadiazole-3-carboxamide?
The canonical SMILES for N-(4-chloro-2,5-dimethoxyphenyl)-4-methyl-1,2,5-oxadiazole-3-carboxamide is COc1cc(NC(=O)c2nonc2C)c(OC)cc1Cl.
What is the InChIKey of N-(4-chloro-2,5-dimethoxyphenyl)-4-methyl-1,2,5-oxadiazole-3-carboxamide?
The InChIKey is NVAJTGPFPKEYAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClN3O4/c1-6-11(16-20-15-6)12(17)14-8-5-9(18-2)7(13)4-10(8)19-3/h4-5H,1-3H3,(H,14,17).
What are the key properties of N-(4-chloro-2,5-dimethoxyphenyl)-4-methyl-1,2,5-oxadiazole-3-carboxamide?
N-(4-chloro-2,5-dimethoxyphenyl)-4-methyl-1,2,5-oxadiazole-3-carboxamide has a molecular weight of 297.70 g/mol, XLogP of 2.30, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2,5-dimethoxyphenyl)-4-methyl-1,2,5-oxadiazole-3-carboxamide is sourced from PubChem (CID 110692030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).