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

C10H9ClN4O2 — CID 62687766

IUPAC4-amino-N-(2-chloro-4-methylphenyl)-1,2,5-oxadiazole-3-carboxamide
SMILESCc1ccc(NC(=O)c2nonc2N)c(Cl)c1
InChIInChI=1S/C10H9ClN4O2/c1-5-2-3-7(6(11)4-5)13-10(16)8-9(12)15-17-14-8/h2-4H,1H3,(H2,12,15)(H,13,16)
InChIKeyAOSDJNXBVKTAGF-UHFFFAOYSA-N
MW252.66 g/mol
LogP1.87
Rot. Bonds2

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

4-amino-N-(2-chloro-4-methylphenyl)-1,2,5-oxadiazole-3-carboxamide (PubChem CID 62687766) has the molecular formula C10H9ClN4O2 and a molecular weight of 252.66 g/mol. Its IUPAC name is 4-amino-N-(2-chloro-4-methylphenyl)-1,2,5-oxadiazole-3-carboxamide.

Molecular Properties

Compound Name4-amino-N-(2-chloro-4-methylphenyl)-1,2,5-oxadiazole-3-carboxamide
PubChem CID62687766
Molecular FormulaC10H9ClN4O2
Molecular Weight252.66 g/mol
Exact Mass252.04
IUPAC Name4-amino-N-(2-chloro-4-methylphenyl)-1,2,5-oxadiazole-3-carboxamide
SMILESCc1ccc(NC(=O)c2nonc2N)c(Cl)c1
InChIInChI=1S/C10H9ClN4O2/c1-5-2-3-7(6(11)4-5)13-10(16)8-9(12)15-17-14-8/h2-4H,1H3,(H2,12,15)(H,13,16)
InChIKeyAOSDJNXBVKTAGF-UHFFFAOYSA-N
XLogP1.87
TPSA94.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.66
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-amino-N-(2,4,5-trichlorophenyl)-1,2,5-oxadiazole-3-carboxamide
CID 55103950
4-amino-N-(2-chloro-4-cyanophenyl)-1,2,5-oxadiazole-3-carboxamide
CID 107808049
4-amino-N-(4-bromo-2-methylphenyl)-1,2,5-oxadiazole-3-carboxamide
CID 62687389
4-amino-N-(2-chloro-5-methyl-3-pyridinyl)-1,2,5-oxadiazole-3-carboxamide
CID 114050962
4-amino-N-(2-chloro-5-methylphenyl)-1,2,5-oxadiazole-3-carbothioamide
CID 118983742
4-amino-N-(5-chloro-2-methoxyphenyl)-1,2,5-oxadiazole-3-carboxamide
CID 62688661
4-amino-3,5-dichloro-N-(2-chloro-4-methylphenyl)benzamide
CID 82832914
3-[(2-chloro-4-methylphenyl)carbamoyl]pyrazine-2-carboxylic acid
CID 20866788
2-[(4-amino-1,2,5-oxadiazole-3-carbonyl)amino]-5-bromobenzoic acid
CID 62688383
4-amino-2-chloro-N-(2-chloro-4-methylphenyl)benzamide
CID 28967456
4-amino-N-(2,3-dimethyl-5-sulfamoylphenyl)-1,2,5-oxadiazole-3-carboxamide
CID 62687413
3-amino-4-chloro-N-(2-chloro-4-methylphenyl)benzamide
CID 28967462

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(2-chloro-4-methylphenyl)-1,2,5-oxadiazole-3-carboxamide?
The IUPAC name of 4-amino-N-(2-chloro-4-methylphenyl)-1,2,5-oxadiazole-3-carboxamide (CID 62687766) is 4-amino-N-(2-chloro-4-methylphenyl)-1,2,5-oxadiazole-3-carboxamide.
What is the SMILES notation for 4-amino-N-(2-chloro-4-methylphenyl)-1,2,5-oxadiazole-3-carboxamide?
The canonical SMILES for 4-amino-N-(2-chloro-4-methylphenyl)-1,2,5-oxadiazole-3-carboxamide is Cc1ccc(NC(=O)c2nonc2N)c(Cl)c1.
What is the InChIKey of 4-amino-N-(2-chloro-4-methylphenyl)-1,2,5-oxadiazole-3-carboxamide?
The InChIKey is AOSDJNXBVKTAGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClN4O2/c1-5-2-3-7(6(11)4-5)13-10(16)8-9(12)15-17-14-8/h2-4H,1H3,(H2,12,15)(H,13,16).
What are the key properties of 4-amino-N-(2-chloro-4-methylphenyl)-1,2,5-oxadiazole-3-carboxamide?
4-amino-N-(2-chloro-4-methylphenyl)-1,2,5-oxadiazole-3-carboxamide has a molecular weight of 252.66 g/mol, XLogP of 1.87, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(2-chloro-4-methylphenyl)-1,2,5-oxadiazole-3-carboxamide is sourced from PubChem (CID 62687766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).