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

C10H8F3N5O3 — CID 62581231

IUPACN-(3-methyl-1,2-oxazol-5-yl)-2-[4-(2,2,2-trifluoroacetyl)triazol-1-yl]acetamide
SMILESCc1cc(NC(=O)Cn2cc(C(=O)C(F)(F)F)nn2)on1
InChIInChI=1S/C10H8F3N5O3/c1-5-2-8(21-16-5)14-7(19)4-18-3-6(15-17-18)9(20)10(11,12)13/h2-3H,4H2,1H3,(H,14,19)
InChIKeyKDZZGBWZLQNVKG-UHFFFAOYSA-N
MW303.20 g/mol
LogP0.96
Rot. Bonds4

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

N-(3-methyl-1,2-oxazol-5-yl)-2-[4-(2,2,2-trifluoroacetyl)triazol-1-yl]acetamide (PubChem CID 62581231) has the molecular formula C10H8F3N5O3 and a molecular weight of 303.20 g/mol. Its IUPAC name is N-(3-methyl-1,2-oxazol-5-yl)-2-[4-(2,2,2-trifluoroacetyl)triazol-1-yl]acetamide.

Molecular Properties

Compound NameN-(3-methyl-1,2-oxazol-5-yl)-2-[4-(2,2,2-trifluoroacetyl)triazol-1-yl]acetamide
PubChem CID62581231
Molecular FormulaC10H8F3N5O3
Molecular Weight303.20 g/mol
Exact Mass303.06
IUPAC NameN-(3-methyl-1,2-oxazol-5-yl)-2-[4-(2,2,2-trifluoroacetyl)triazol-1-yl]acetamide
SMILESCc1cc(NC(=O)Cn2cc(C(=O)C(F)(F)F)nn2)on1
InChIInChI=1S/C10H8F3N5O3/c1-5-2-8(21-16-5)14-7(19)4-18-3-6(15-17-18)9(20)10(11,12)13/h2-3H,4H2,1H3,(H,14,19)
InChIKeyKDZZGBWZLQNVKG-UHFFFAOYSA-N
XLogP0.96
TPSA102.91 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.20
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(3-methyl-1,2-oxazol-5-yl)-2-[4-(2,2,2-trifluoroacetyl)triazol-1-yl]acetamide?
The IUPAC name of N-(3-methyl-1,2-oxazol-5-yl)-2-[4-(2,2,2-trifluoroacetyl)triazol-1-yl]acetamide (CID 62581231) is N-(3-methyl-1,2-oxazol-5-yl)-2-[4-(2,2,2-trifluoroacetyl)triazol-1-yl]acetamide.
What is the SMILES notation for N-(3-methyl-1,2-oxazol-5-yl)-2-[4-(2,2,2-trifluoroacetyl)triazol-1-yl]acetamide?
The canonical SMILES for N-(3-methyl-1,2-oxazol-5-yl)-2-[4-(2,2,2-trifluoroacetyl)triazol-1-yl]acetamide is Cc1cc(NC(=O)Cn2cc(C(=O)C(F)(F)F)nn2)on1.
What is the InChIKey of N-(3-methyl-1,2-oxazol-5-yl)-2-[4-(2,2,2-trifluoroacetyl)triazol-1-yl]acetamide?
The InChIKey is KDZZGBWZLQNVKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F3N5O3/c1-5-2-8(21-16-5)14-7(19)4-18-3-6(15-17-18)9(20)10(11,12)13/h2-3H,4H2,1H3,(H,14,19).
What are the key properties of N-(3-methyl-1,2-oxazol-5-yl)-2-[4-(2,2,2-trifluoroacetyl)triazol-1-yl]acetamide?
N-(3-methyl-1,2-oxazol-5-yl)-2-[4-(2,2,2-trifluoroacetyl)triazol-1-yl]acetamide has a molecular weight of 303.20 g/mol, XLogP of 0.96, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methyl-1,2-oxazol-5-yl)-2-[4-(2,2,2-trifluoroacetyl)triazol-1-yl]acetamide is sourced from PubChem (CID 62581231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).