1-(3-chloro-4-fluorophenyl)-5-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]triazole-4-carboxamide

C15H13ClFN5O2 — CID 56784122

IUPAC1-(3-chloro-4-fluorophenyl)-5-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]triazole-4-carboxamide
SMILESCc1cc(CNC(=O)c2nnn(-c3ccc(F)c(Cl)c3)c2C)on1
InChIInChI=1S/C15H13ClFN5O2/c1-8-5-11(24-20-8)7-18-15(23)14-9(2)22(21-19-14)10-3-4-13(17)12(16)6-10/h3-6H,7H2,1-2H3,(H,18,23)
InChIKeyWFYZPQFPDLPTNE-UHFFFAOYSA-N
MW349.75 g/mol
LogP2.59
Rot. Bonds4

About 1-(3-chloro-4-fluorophenyl)-5-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]triazole-4-carboxamide

1-(3-chloro-4-fluorophenyl)-5-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]triazole-4-carboxamide (PubChem CID 56784122) has the molecular formula C15H13ClFN5O2 and a molecular weight of 349.75 g/mol. Its IUPAC name is 1-(3-chloro-4-fluorophenyl)-5-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]triazole-4-carboxamide.

Molecular Properties

Compound Name1-(3-chloro-4-fluorophenyl)-5-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]triazole-4-carboxamide
PubChem CID56784122
Molecular FormulaC15H13ClFN5O2
Molecular Weight349.75 g/mol
Exact Mass349.07
IUPAC Name1-(3-chloro-4-fluorophenyl)-5-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]triazole-4-carboxamide
SMILESCc1cc(CNC(=O)c2nnn(-c3ccc(F)c(Cl)c3)c2C)on1
InChIInChI=1S/C15H13ClFN5O2/c1-8-5-11(24-20-8)7-18-15(23)14-9(2)22(21-19-14)10-3-4-13(17)12(16)6-10/h3-6H,7H2,1-2H3,(H,18,23)
InChIKeyWFYZPQFPDLPTNE-UHFFFAOYSA-N
XLogP2.59
TPSA85.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.75
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(2-chlorophenyl)-N-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-5-(trifluoromethyl)pyrazole-3-carboxamide
CID 59240034
1-(3-chlorophenyl)-5-methyl-N-(5-methyl-1,2-oxazol-3-yl)-1H-1,2,3-triazole-4-carboxamide
CID 16648922
1-(4-chlorophenyl)-5-methyl-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]triazole-4-carboxamide
CID 71547033
N-[(3-ethyl-1,2-oxazol-5-yl)methyl]-1-(4-fluorophenyl)-5-methyltriazole-4-carboxamide
CID 46968746
1-(4-chloro-2-fluorophenyl)-5-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]triazole-4-carboxamide
CID 71999476
N'-(4-chloro-2-fluorophenyl)-N-[(3-ethyl-1,2-oxazol-5-yl)methyl]oxamide
CID 72000936
1-(3-chloro-2-fluorophenyl)-N-(3,5-dimethyl-1,2-oxazol-4-yl)-N-methyltriazole-4-carboxamide
CID 75472143
1-(3-Chloro-4-fluorophenyl)-3-[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]pyrrolidin-2-one
CID 75472594
N-[1-(3-chloro-4-fluorophenyl)pyrrolidin-3-yl]-3-methyl-1,2-oxazole-5-carboxamide
CID 75498667
N-[[1-(3-chloro-4-fluorophenyl)triazol-4-yl]methyl]-N-methyl-1-(5-methyl-1,2-oxazol-3-yl)methanamine
CID 75502250
N-[[1-(3-chloro-4-fluorophenyl)triazol-4-yl]methyl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)ethanamine
CID 75502391
N-(3-chloro-4-fluorophenyl)-N'-(5-ethyl-3-methyl-1,2-oxazol-4-yl)oxamide
CID 75524734

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-fluorophenyl)-5-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]triazole-4-carboxamide?
The IUPAC name of 1-(3-chloro-4-fluorophenyl)-5-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]triazole-4-carboxamide (CID 56784122) is 1-(3-chloro-4-fluorophenyl)-5-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]triazole-4-carboxamide.
What is the SMILES notation for 1-(3-chloro-4-fluorophenyl)-5-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]triazole-4-carboxamide?
The canonical SMILES for 1-(3-chloro-4-fluorophenyl)-5-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]triazole-4-carboxamide is Cc1cc(CNC(=O)c2nnn(-c3ccc(F)c(Cl)c3)c2C)on1.
What is the InChIKey of 1-(3-chloro-4-fluorophenyl)-5-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]triazole-4-carboxamide?
The InChIKey is WFYZPQFPDLPTNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClFN5O2/c1-8-5-11(24-20-8)7-18-15(23)14-9(2)22(21-19-14)10-3-4-13(17)12(16)6-10/h3-6H,7H2,1-2H3,(H,18,23).
What are the key properties of 1-(3-chloro-4-fluorophenyl)-5-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]triazole-4-carboxamide?
1-(3-chloro-4-fluorophenyl)-5-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]triazole-4-carboxamide has a molecular weight of 349.75 g/mol, XLogP of 2.59, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-4-fluorophenyl)-5-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]triazole-4-carboxamide is sourced from PubChem (CID 56784122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).