3-amino-N-(3-methyl-1,2,4-oxadiazol-5-yl)-4-(trifluoromethoxy)benzamide

C11H9F3N4O3 — CID 116629051

IUPAC3-amino-N-(3-methyl-1,2,4-oxadiazol-5-yl)-4-(trifluoromethoxy)benzamide
SMILESCc1noc(NC(=O)c2ccc(OC(F)(F)F)c(N)c2)n1
InChIInChI=1S/C11H9F3N4O3/c1-5-16-10(21-18-5)17-9(19)6-2-3-8(7(15)4-6)20-11(12,13)14/h2-4H,15H2,1H3,(H,16,17,18,19)
InChIKeyNUHXFFXKDFEKQU-UHFFFAOYSA-N
MW302.21 g/mol
LogP2.11
Rot. Bonds3

About 3-amino-N-(3-methyl-1,2,4-oxadiazol-5-yl)-4-(trifluoromethoxy)benzamide

3-amino-N-(3-methyl-1,2,4-oxadiazol-5-yl)-4-(trifluoromethoxy)benzamide (PubChem CID 116629051) has the molecular formula C11H9F3N4O3 and a molecular weight of 302.21 g/mol. Its IUPAC name is 3-amino-N-(3-methyl-1,2,4-oxadiazol-5-yl)-4-(trifluoromethoxy)benzamide.

Molecular Properties

Compound Name3-amino-N-(3-methyl-1,2,4-oxadiazol-5-yl)-4-(trifluoromethoxy)benzamide
PubChem CID116629051
Molecular FormulaC11H9F3N4O3
Molecular Weight302.21 g/mol
Exact Mass302.06
IUPAC Name3-amino-N-(3-methyl-1,2,4-oxadiazol-5-yl)-4-(trifluoromethoxy)benzamide
SMILESCc1noc(NC(=O)c2ccc(OC(F)(F)F)c(N)c2)n1
InChIInChI=1S/C11H9F3N4O3/c1-5-16-10(21-18-5)17-9(19)6-2-3-8(7(15)4-6)20-11(12,13)14/h2-4H,15H2,1H3,(H,16,17,18,19)
InChIKeyNUHXFFXKDFEKQU-UHFFFAOYSA-N
XLogP2.11
TPSA103.27 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.21
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-(3-methyl-1,2,4-oxadiazol-5-yl)-4-(trifluoromethoxy)benzamide
CID 47045451
US10130633, Example 125
CID 90462315
4-[5-(4-Trifluoromethoxyphenyl)-[1,2,4]oxadiazol-3-yl]phenylamine
CID 57824505
N-(2-methoxyphenyl)-4-[[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]methyl]benzamide
CID 146461208
3-[[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzoyl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 16363058
2-Fluoro-5-[4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]butanoylamino]benzamide
CID 32454581
N-(2,4-difluorophenyl)-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzamide
CID 32738964
4-methoxy-3-nitro-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]benzamide
CID 36579760
N-(4-fluorophenyl)-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzamide
CID 41729582
5-[3-(4-Fluorophenyl)(1,2,4-oxadiazol-5-yl)]-2-methoxyphenylamine
CID 49757237
N-(3-fluorophenyl)-3-[[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzoyl]amino]benzamide
CID 55886689
3-[4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]butanoylamino]-4-methoxy-N,N-dimethylbenzamide
CID 55893467

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(3-methyl-1,2,4-oxadiazol-5-yl)-4-(trifluoromethoxy)benzamide?
The IUPAC name of 3-amino-N-(3-methyl-1,2,4-oxadiazol-5-yl)-4-(trifluoromethoxy)benzamide (CID 116629051) is 3-amino-N-(3-methyl-1,2,4-oxadiazol-5-yl)-4-(trifluoromethoxy)benzamide.
What is the SMILES notation for 3-amino-N-(3-methyl-1,2,4-oxadiazol-5-yl)-4-(trifluoromethoxy)benzamide?
The canonical SMILES for 3-amino-N-(3-methyl-1,2,4-oxadiazol-5-yl)-4-(trifluoromethoxy)benzamide is Cc1noc(NC(=O)c2ccc(OC(F)(F)F)c(N)c2)n1.
What is the InChIKey of 3-amino-N-(3-methyl-1,2,4-oxadiazol-5-yl)-4-(trifluoromethoxy)benzamide?
The InChIKey is NUHXFFXKDFEKQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9F3N4O3/c1-5-16-10(21-18-5)17-9(19)6-2-3-8(7(15)4-6)20-11(12,13)14/h2-4H,15H2,1H3,(H,16,17,18,19).
What are the key properties of 3-amino-N-(3-methyl-1,2,4-oxadiazol-5-yl)-4-(trifluoromethoxy)benzamide?
3-amino-N-(3-methyl-1,2,4-oxadiazol-5-yl)-4-(trifluoromethoxy)benzamide has a molecular weight of 302.21 g/mol, XLogP of 2.11, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(3-methyl-1,2,4-oxadiazol-5-yl)-4-(trifluoromethoxy)benzamide is sourced from PubChem (CID 116629051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).