N-(5-methyl-1,3,4-oxadiazol-2-yl)-2-[4-(2,2,2-trifluoroacetyl)triazol-1-yl]acetamide

C9H7F3N6O3 — CID 62581966

IUPACN-(5-methyl-1,3,4-oxadiazol-2-yl)-2-[4-(2,2,2-trifluoroacetyl)triazol-1-yl]acetamide
SMILESCc1nnc(NC(=O)Cn2cc(C(=O)C(F)(F)F)nn2)o1
InChIInChI=1S/C9H7F3N6O3/c1-4-14-16-8(21-4)13-6(19)3-18-2-5(15-17-18)7(20)9(10,11)12/h2H,3H2,1H3,(H,13,16,19)
InChIKeyNVNQSELTQKSMSS-UHFFFAOYSA-N
MW304.19 g/mol
LogP0.35
Rot. Bonds4

About N-(5-methyl-1,3,4-oxadiazol-2-yl)-2-[4-(2,2,2-trifluoroacetyl)triazol-1-yl]acetamide

N-(5-methyl-1,3,4-oxadiazol-2-yl)-2-[4-(2,2,2-trifluoroacetyl)triazol-1-yl]acetamide (PubChem CID 62581966) has the molecular formula C9H7F3N6O3 and a molecular weight of 304.19 g/mol. Its IUPAC name is N-(5-methyl-1,3,4-oxadiazol-2-yl)-2-[4-(2,2,2-trifluoroacetyl)triazol-1-yl]acetamide.

Molecular Properties

Compound NameN-(5-methyl-1,3,4-oxadiazol-2-yl)-2-[4-(2,2,2-trifluoroacetyl)triazol-1-yl]acetamide
PubChem CID62581966
Molecular FormulaC9H7F3N6O3
Molecular Weight304.19 g/mol
Exact Mass304.05
IUPAC NameN-(5-methyl-1,3,4-oxadiazol-2-yl)-2-[4-(2,2,2-trifluoroacetyl)triazol-1-yl]acetamide
SMILESCc1nnc(NC(=O)Cn2cc(C(=O)C(F)(F)F)nn2)o1
InChIInChI=1S/C9H7F3N6O3/c1-4-14-16-8(21-4)13-6(19)3-18-2-5(15-17-18)7(20)9(10,11)12/h2H,3H2,1H3,(H,13,16,19)
InChIKeyNVNQSELTQKSMSS-UHFFFAOYSA-N
XLogP0.35
TPSA115.80 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.19
LogP ≤ 50.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-1,3,4-oxadiazol-2-yl)-2-[4-(2,2,2-trifluoroacetyl)triazol-1-yl]acetamide?
The IUPAC name of N-(5-methyl-1,3,4-oxadiazol-2-yl)-2-[4-(2,2,2-trifluoroacetyl)triazol-1-yl]acetamide (CID 62581966) is N-(5-methyl-1,3,4-oxadiazol-2-yl)-2-[4-(2,2,2-trifluoroacetyl)triazol-1-yl]acetamide.
What is the SMILES notation for N-(5-methyl-1,3,4-oxadiazol-2-yl)-2-[4-(2,2,2-trifluoroacetyl)triazol-1-yl]acetamide?
The canonical SMILES for N-(5-methyl-1,3,4-oxadiazol-2-yl)-2-[4-(2,2,2-trifluoroacetyl)triazol-1-yl]acetamide is Cc1nnc(NC(=O)Cn2cc(C(=O)C(F)(F)F)nn2)o1.
What is the InChIKey of N-(5-methyl-1,3,4-oxadiazol-2-yl)-2-[4-(2,2,2-trifluoroacetyl)triazol-1-yl]acetamide?
The InChIKey is NVNQSELTQKSMSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7F3N6O3/c1-4-14-16-8(21-4)13-6(19)3-18-2-5(15-17-18)7(20)9(10,11)12/h2H,3H2,1H3,(H,13,16,19).
What are the key properties of N-(5-methyl-1,3,4-oxadiazol-2-yl)-2-[4-(2,2,2-trifluoroacetyl)triazol-1-yl]acetamide?
N-(5-methyl-1,3,4-oxadiazol-2-yl)-2-[4-(2,2,2-trifluoroacetyl)triazol-1-yl]acetamide has a molecular weight of 304.19 g/mol, XLogP of 0.35, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-1,3,4-oxadiazol-2-yl)-2-[4-(2,2,2-trifluoroacetyl)triazol-1-yl]acetamide is sourced from PubChem (CID 62581966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).