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

C15H13ClFN5O2 — CID 71999476

IUPAC1-(4-chloro-2-fluorophenyl)-5-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]triazole-4-carboxamide
SMILESCc1cc(CNC(=O)c2nnn(-c3ccc(Cl)cc3F)c2C)no1
InChIInChI=1S/C15H13ClFN5O2/c1-8-5-11(20-24-8)7-18-15(23)14-9(2)22(21-19-14)13-4-3-10(16)6-12(13)17/h3-6H,7H2,1-2H3,(H,18,23)
InChIKeyRKDVFCUKRYYMKC-UHFFFAOYSA-N
MW349.75 g/mol
LogP2.59
Rot. Bonds4

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

1-(4-chloro-2-fluorophenyl)-5-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]triazole-4-carboxamide (PubChem CID 71999476) has the molecular formula C15H13ClFN5O2 and a molecular weight of 349.75 g/mol. Its IUPAC name is 1-(4-chloro-2-fluorophenyl)-5-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]triazole-4-carboxamide.

Molecular Properties

Compound Name1-(4-chloro-2-fluorophenyl)-5-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]triazole-4-carboxamide
PubChem CID71999476
Molecular FormulaC15H13ClFN5O2
Molecular Weight349.75 g/mol
Exact Mass349.07
IUPAC Name1-(4-chloro-2-fluorophenyl)-5-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]triazole-4-carboxamide
SMILESCc1cc(CNC(=O)c2nnn(-c3ccc(Cl)cc3F)c2C)no1
InChIInChI=1S/C15H13ClFN5O2/c1-8-5-11(20-24-8)7-18-15(23)14-9(2)22(21-19-14)13-4-3-10(16)6-12(13)17/h3-6H,7H2,1-2H3,(H,18,23)
InChIKeyRKDVFCUKRYYMKC-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

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1-(4-chloro-2-fluorophenyl)-5-methyl-N-[3-(methylcarbamoyl)phenyl]triazole-4-carboxamide
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1-(4-chlorophenyl)-5-methyl-N-(5-methyl-1,2-oxazol-3-yl)triazole-4-carboxamide
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1-(4-chloro-2-fluorophenyl)-N-(2-hydroxy-2-methylpropyl)-N,5-dimethyltriazole-4-carboxamide
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1-(4-chloro-2-fluorophenyl)-N,5-dimethyl-N-(1-methylpiperidin-4-yl)triazole-4-carboxamide
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1-(4-chlorophenyl)-3-[(5-methyl-1,2-oxazol-3-yl)methyl]urea
CID 110747513
N-(5-chloro-2-methylphenyl)-1-(2,5-dimethylphenyl)-5-methyltriazole-4-carboxamide
CID 2141051
3,5-dihydroxy-N-[(5-methyl-1,2-oxazol-3-yl)methyl]benzamide
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Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-2-fluorophenyl)-5-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]triazole-4-carboxamide?
The IUPAC name of 1-(4-chloro-2-fluorophenyl)-5-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]triazole-4-carboxamide (CID 71999476) is 1-(4-chloro-2-fluorophenyl)-5-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]triazole-4-carboxamide.
What is the SMILES notation for 1-(4-chloro-2-fluorophenyl)-5-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]triazole-4-carboxamide?
The canonical SMILES for 1-(4-chloro-2-fluorophenyl)-5-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]triazole-4-carboxamide is Cc1cc(CNC(=O)c2nnn(-c3ccc(Cl)cc3F)c2C)no1.
What is the InChIKey of 1-(4-chloro-2-fluorophenyl)-5-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]triazole-4-carboxamide?
The InChIKey is RKDVFCUKRYYMKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClFN5O2/c1-8-5-11(20-24-8)7-18-15(23)14-9(2)22(21-19-14)13-4-3-10(16)6-12(13)17/h3-6H,7H2,1-2H3,(H,18,23).
What are the key properties of 1-(4-chloro-2-fluorophenyl)-5-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]triazole-4-carboxamide?
1-(4-chloro-2-fluorophenyl)-5-methyl-N-[(5-methyl-1,2-oxazol-3-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-(4-chloro-2-fluorophenyl)-5-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]triazole-4-carboxamide is sourced from PubChem (CID 71999476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).