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

C10H9FN4O2 — CID 79049325

IUPAC4-amino-N-(3-fluoro-5-methylphenyl)-1,2,5-oxadiazole-3-carboxamide
SMILESCc1cc(F)cc(NC(=O)c2nonc2N)c1
InChIInChI=1S/C10H9FN4O2/c1-5-2-6(11)4-7(3-5)13-10(16)8-9(12)15-17-14-8/h2-4H,1H3,(H2,12,15)(H,13,16)
InChIKeyNOYUCQYUSNIAFY-UHFFFAOYSA-N
MW236.21 g/mol
LogP1.35
Rot. Bonds2

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

4-amino-N-(3-fluoro-5-methylphenyl)-1,2,5-oxadiazole-3-carboxamide (PubChem CID 79049325) has the molecular formula C10H9FN4O2 and a molecular weight of 236.21 g/mol. Its IUPAC name is 4-amino-N-(3-fluoro-5-methylphenyl)-1,2,5-oxadiazole-3-carboxamide.

Molecular Properties

Compound Name4-amino-N-(3-fluoro-5-methylphenyl)-1,2,5-oxadiazole-3-carboxamide
PubChem CID79049325
Molecular FormulaC10H9FN4O2
Molecular Weight236.21 g/mol
Exact Mass236.07
IUPAC Name4-amino-N-(3-fluoro-5-methylphenyl)-1,2,5-oxadiazole-3-carboxamide
SMILESCc1cc(F)cc(NC(=O)c2nonc2N)c1
InChIInChI=1S/C10H9FN4O2/c1-5-2-6(11)4-7(3-5)13-10(16)8-9(12)15-17-14-8/h2-4H,1H3,(H2,12,15)(H,13,16)
InChIKeyNOYUCQYUSNIAFY-UHFFFAOYSA-N
XLogP1.35
TPSA94.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.21
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3,5-diamino-N-(3-fluoro-5-methylphenyl)benzamide
CID 79049078
4-amino-N-(2-chloro-4-methylphenyl)-1,2,5-oxadiazole-3-carboxamide
CID 62687766
4-amino-N-(4-bromo-2-methylphenyl)-1,2,5-oxadiazole-3-carboxamide
CID 62687389
4-amino-N-(3,4-dimethoxyphenyl)-1,2,5-oxadiazole-3-carboxamide
CID 17085500
4-amino-5-ethyl-N-(3-fluoro-5-methylphenyl)-1H-pyrazole-3-carboxamide
CID 79048461
4-amino-N-(5-fluoro-2-pyridinyl)-1,2,5-oxadiazole-3-carboxamide
CID 65482055
4-amino-N-(2,4-difluoro-6-nitrophenyl)-1,2,5-oxadiazole-3-carboxamide
CID 81310187
4-amino-N-(2-chloro-5-methyl-3-pyridinyl)-1,2,5-oxadiazole-3-carboxamide
CID 114050962
4-amino-N-[4-(difluoromethoxy)-3-fluorophenyl]-1,2,5-oxadiazole-3-carboxamide
CID 62688517
methyl 3-[(4-amino-1,2,5-oxadiazole-3-carbonyl)amino]benzoate
CID 62686184
2-amino-N-(3-fluoro-5-methylphenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 79049476
5-chloro-N-(3-fluoro-5-methylphenyl)-1,3,4-thiadiazole-2-carboxamide
CID 80618037

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(3-fluoro-5-methylphenyl)-1,2,5-oxadiazole-3-carboxamide?
The IUPAC name of 4-amino-N-(3-fluoro-5-methylphenyl)-1,2,5-oxadiazole-3-carboxamide (CID 79049325) is 4-amino-N-(3-fluoro-5-methylphenyl)-1,2,5-oxadiazole-3-carboxamide.
What is the SMILES notation for 4-amino-N-(3-fluoro-5-methylphenyl)-1,2,5-oxadiazole-3-carboxamide?
The canonical SMILES for 4-amino-N-(3-fluoro-5-methylphenyl)-1,2,5-oxadiazole-3-carboxamide is Cc1cc(F)cc(NC(=O)c2nonc2N)c1.
What is the InChIKey of 4-amino-N-(3-fluoro-5-methylphenyl)-1,2,5-oxadiazole-3-carboxamide?
The InChIKey is NOYUCQYUSNIAFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9FN4O2/c1-5-2-6(11)4-7(3-5)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-(3-fluoro-5-methylphenyl)-1,2,5-oxadiazole-3-carboxamide?
4-amino-N-(3-fluoro-5-methylphenyl)-1,2,5-oxadiazole-3-carboxamide has a molecular weight of 236.21 g/mol, XLogP of 1.35, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(3-fluoro-5-methylphenyl)-1,2,5-oxadiazole-3-carboxamide is sourced from PubChem (CID 79049325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).