N-benzyl-3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazole-4-carboxamide

C18H14ClFN2O2 — CID 769448

IUPACN-benzyl-3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazole-4-carboxamide
SMILESCc1onc(-c2c(F)cccc2Cl)c1C(=O)NCc1ccccc1
InChIInChI=1S/C18H14ClFN2O2/c1-11-15(18(23)21-10-12-6-3-2-4-7-12)17(22-24-11)16-13(19)8-5-9-14(16)20/h2-9H,10H2,1H3,(H,21,23)
InChIKeyPTQFDKGYODRCCI-UHFFFAOYSA-N
MW344.77 g/mol
LogP4.37
Rot. Bonds4

About N-benzyl-3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazole-4-carboxamide

N-benzyl-3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazole-4-carboxamide (PubChem CID 769448) has the molecular formula C18H14ClFN2O2 and a molecular weight of 344.77 g/mol. Its IUPAC name is N-benzyl-3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-benzyl-3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazole-4-carboxamide
PubChem CID769448
Molecular FormulaC18H14ClFN2O2
Molecular Weight344.77 g/mol
Exact Mass344.07
IUPAC NameN-benzyl-3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazole-4-carboxamide
SMILESCc1onc(-c2c(F)cccc2Cl)c1C(=O)NCc1ccccc1
InChIInChI=1S/C18H14ClFN2O2/c1-11-15(18(23)21-10-12-6-3-2-4-7-12)17(22-24-11)16-13(19)8-5-9-14(16)20/h2-9H,10H2,1H3,(H,21,23)
InChIKeyPTQFDKGYODRCCI-UHFFFAOYSA-N
XLogP4.37
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.77
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazole-4-carboxamide?
The IUPAC name of N-benzyl-3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazole-4-carboxamide (CID 769448) is N-benzyl-3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for N-benzyl-3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazole-4-carboxamide?
The canonical SMILES for N-benzyl-3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazole-4-carboxamide is Cc1onc(-c2c(F)cccc2Cl)c1C(=O)NCc1ccccc1.
What is the InChIKey of N-benzyl-3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazole-4-carboxamide?
The InChIKey is PTQFDKGYODRCCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClFN2O2/c1-11-15(18(23)21-10-12-6-3-2-4-7-12)17(22-24-11)16-13(19)8-5-9-14(16)20/h2-9H,10H2,1H3,(H,21,23).
What are the key properties of N-benzyl-3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazole-4-carboxamide?
N-benzyl-3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazole-4-carboxamide has a molecular weight of 344.77 g/mol, XLogP of 4.37, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 769448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).