4-amino-N-(5-chloro-2-methoxyphenyl)-1,2,5-oxadiazole-3-carboxamide

C10H9ClN4O3 — CID 62688661

IUPAC4-amino-N-(5-chloro-2-methoxyphenyl)-1,2,5-oxadiazole-3-carboxamide
SMILESCOc1ccc(Cl)cc1NC(=O)c1nonc1N
InChIInChI=1S/C10H9ClN4O3/c1-17-7-3-2-5(11)4-6(7)13-10(16)8-9(12)15-18-14-8/h2-4H,1H3,(H2,12,15)(H,13,16)
InChIKeyJIYLNMIJZLCGDM-UHFFFAOYSA-N
MW268.66 g/mol
LogP1.57
Rot. Bonds3

About 4-amino-N-(5-chloro-2-methoxyphenyl)-1,2,5-oxadiazole-3-carboxamide

4-amino-N-(5-chloro-2-methoxyphenyl)-1,2,5-oxadiazole-3-carboxamide (PubChem CID 62688661) has the molecular formula C10H9ClN4O3 and a molecular weight of 268.66 g/mol. Its IUPAC name is 4-amino-N-(5-chloro-2-methoxyphenyl)-1,2,5-oxadiazole-3-carboxamide.

Molecular Properties

Compound Name4-amino-N-(5-chloro-2-methoxyphenyl)-1,2,5-oxadiazole-3-carboxamide
PubChem CID62688661
Molecular FormulaC10H9ClN4O3
Molecular Weight268.66 g/mol
Exact Mass268.04
IUPAC Name4-amino-N-(5-chloro-2-methoxyphenyl)-1,2,5-oxadiazole-3-carboxamide
SMILESCOc1ccc(Cl)cc1NC(=O)c1nonc1N
InChIInChI=1S/C10H9ClN4O3/c1-17-7-3-2-5(11)4-6(7)13-10(16)8-9(12)15-18-14-8/h2-4H,1H3,(H2,12,15)(H,13,16)
InChIKeyJIYLNMIJZLCGDM-UHFFFAOYSA-N
XLogP1.57
TPSA103.27 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.66
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-amino-N-(2,5-dimethoxyphenyl)-1,2,5-oxadiazole-3-carboxamide
CID 62688302
4-amino-N-(3,4-dimethoxyphenyl)-1,2,5-oxadiazole-3-carboxamide
CID 17085500
5-amino-N-(5-chloro-2-methoxyphenyl)pyridine-2-carboxamide
CID 81319684
N-(5-chloro-2-methoxyphenyl)-3-methoxy-1,2-oxazole-5-carboxamide
CID 71802469
N-(5-chloro-2-methoxyphenyl)-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide
CID 4048569
5-amino-N-(5-chloro-2-methoxyphenyl)-1-(4-chlorophenyl)triazole-4-carboxamide
CID 27245734
5-chloro-N-(5-chloro-2-methoxyphenyl)-1,3,4-thiadiazole-2-carboxamide
CID 80625735
4-amino-N-(5-chloro-2-methoxyphenyl)-5-cyclopropyl-1H-pyrazole-3-carboxamide
CID 62077592
2-amino-6-chloro-N-(5-chloro-2-methoxyphenyl)benzamide
CID 63659121
N-(5-chloro-2-methoxyphenyl)-2-methyl-1,3-oxazole-4-carboxamide
CID 30402806
4-amino-N-(5-chloro-2-methoxyphenyl)-1,3-dimethylpyrazole-5-carboxamide
CID 66121449
4-amino-N-(5-chloro-2-methoxyphenyl)-6-methylpyridine-3-carboxamide
CID 81233986

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(5-chloro-2-methoxyphenyl)-1,2,5-oxadiazole-3-carboxamide?
The IUPAC name of 4-amino-N-(5-chloro-2-methoxyphenyl)-1,2,5-oxadiazole-3-carboxamide (CID 62688661) is 4-amino-N-(5-chloro-2-methoxyphenyl)-1,2,5-oxadiazole-3-carboxamide.
What is the SMILES notation for 4-amino-N-(5-chloro-2-methoxyphenyl)-1,2,5-oxadiazole-3-carboxamide?
The canonical SMILES for 4-amino-N-(5-chloro-2-methoxyphenyl)-1,2,5-oxadiazole-3-carboxamide is COc1ccc(Cl)cc1NC(=O)c1nonc1N.
What is the InChIKey of 4-amino-N-(5-chloro-2-methoxyphenyl)-1,2,5-oxadiazole-3-carboxamide?
The InChIKey is JIYLNMIJZLCGDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClN4O3/c1-17-7-3-2-5(11)4-6(7)13-10(16)8-9(12)15-18-14-8/h2-4H,1H3,(H2,12,15)(H,13,16).
What are the key properties of 4-amino-N-(5-chloro-2-methoxyphenyl)-1,2,5-oxadiazole-3-carboxamide?
4-amino-N-(5-chloro-2-methoxyphenyl)-1,2,5-oxadiazole-3-carboxamide has a molecular weight of 268.66 g/mol, XLogP of 1.57, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(5-chloro-2-methoxyphenyl)-1,2,5-oxadiazole-3-carboxamide is sourced from PubChem (CID 62688661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).