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

C15H14FN5O2 — CID 155916599

IUPACN-[4-(4-fluorophenyl)-3-methyl-1,2-oxazol-5-yl]-2-(5-methyl-1H-1,2,4-triazol-3-yl)acetamide
SMILESCc1nc(CC(=O)Nc2onc(C)c2-c2ccc(F)cc2)n[nH]1
InChIInChI=1S/C15H14FN5O2/c1-8-14(10-3-5-11(16)6-4-10)15(23-21-8)18-13(22)7-12-17-9(2)19-20-12/h3-6H,7H2,1-2H3,(H,18,22)(H,17,19,20)
InChIKeyNMBOWWXQEUQNHA-UHFFFAOYSA-N
MW315.31 g/mol
LogP2.40
Rot. Bonds4

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

N-[4-(4-fluorophenyl)-3-methyl-1,2-oxazol-5-yl]-2-(5-methyl-1H-1,2,4-triazol-3-yl)acetamide (PubChem CID 155916599) has the molecular formula C15H14FN5O2 and a molecular weight of 315.31 g/mol. Its IUPAC name is N-[4-(4-fluorophenyl)-3-methyl-1,2-oxazol-5-yl]-2-(5-methyl-1H-1,2,4-triazol-3-yl)acetamide.

Molecular Properties

Compound NameN-[4-(4-fluorophenyl)-3-methyl-1,2-oxazol-5-yl]-2-(5-methyl-1H-1,2,4-triazol-3-yl)acetamide
PubChem CID155916599
Molecular FormulaC15H14FN5O2
Molecular Weight315.31 g/mol
Exact Mass315.11
IUPAC NameN-[4-(4-fluorophenyl)-3-methyl-1,2-oxazol-5-yl]-2-(5-methyl-1H-1,2,4-triazol-3-yl)acetamide
SMILESCc1nc(CC(=O)Nc2onc(C)c2-c2ccc(F)cc2)n[nH]1
InChIInChI=1S/C15H14FN5O2/c1-8-14(10-3-5-11(16)6-4-10)15(23-21-8)18-13(22)7-12-17-9(2)19-20-12/h3-6H,7H2,1-2H3,(H,18,22)(H,17,19,20)
InChIKeyNMBOWWXQEUQNHA-UHFFFAOYSA-N
XLogP2.40
TPSA96.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.31
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-(4-fluorophenyl)-3-methyl-1,2-oxazol-5-yl]-2-(5-methyl-1H-1,2,4-triazol-3-yl)acetamide?
The IUPAC name of N-[4-(4-fluorophenyl)-3-methyl-1,2-oxazol-5-yl]-2-(5-methyl-1H-1,2,4-triazol-3-yl)acetamide (CID 155916599) is N-[4-(4-fluorophenyl)-3-methyl-1,2-oxazol-5-yl]-2-(5-methyl-1H-1,2,4-triazol-3-yl)acetamide.
What is the SMILES notation for N-[4-(4-fluorophenyl)-3-methyl-1,2-oxazol-5-yl]-2-(5-methyl-1H-1,2,4-triazol-3-yl)acetamide?
The canonical SMILES for N-[4-(4-fluorophenyl)-3-methyl-1,2-oxazol-5-yl]-2-(5-methyl-1H-1,2,4-triazol-3-yl)acetamide is Cc1nc(CC(=O)Nc2onc(C)c2-c2ccc(F)cc2)n[nH]1.
What is the InChIKey of N-[4-(4-fluorophenyl)-3-methyl-1,2-oxazol-5-yl]-2-(5-methyl-1H-1,2,4-triazol-3-yl)acetamide?
The InChIKey is NMBOWWXQEUQNHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FN5O2/c1-8-14(10-3-5-11(16)6-4-10)15(23-21-8)18-13(22)7-12-17-9(2)19-20-12/h3-6H,7H2,1-2H3,(H,18,22)(H,17,19,20).
What are the key properties of N-[4-(4-fluorophenyl)-3-methyl-1,2-oxazol-5-yl]-2-(5-methyl-1H-1,2,4-triazol-3-yl)acetamide?
N-[4-(4-fluorophenyl)-3-methyl-1,2-oxazol-5-yl]-2-(5-methyl-1H-1,2,4-triazol-3-yl)acetamide has a molecular weight of 315.31 g/mol, XLogP of 2.40, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-fluorophenyl)-3-methyl-1,2-oxazol-5-yl]-2-(5-methyl-1H-1,2,4-triazol-3-yl)acetamide is sourced from PubChem (CID 155916599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).