N-(2,2-difluoroethyl)-N-(4-fluorophenyl)-5-methyl-2-(1-methylpyrazol-4-yl)-1,3-oxazole-4-carboxamide

C17H15F3N4O2 — CID 126779279

IUPACN-(2,2-difluoroethyl)-N-(4-fluorophenyl)-5-methyl-2-(1-methylpyrazol-4-yl)-1,3-oxazole-4-carboxamide
SMILESCc1oc(-c2cnn(C)c2)nc1C(=O)N(CC(F)F)c1ccc(F)cc1
InChIInChI=1S/C17H15F3N4O2/c1-10-15(22-16(26-10)11-7-21-23(2)8-11)17(25)24(9-14(19)20)13-5-3-12(18)4-6-13/h3-8,14H,9H2,1-2H3
InChIKeyBUAUSSSHCIBRQQ-UHFFFAOYSA-N
MW364.33 g/mol
LogP3.43
Rot. Bonds5

About N-(2,2-difluoroethyl)-N-(4-fluorophenyl)-5-methyl-2-(1-methylpyrazol-4-yl)-1,3-oxazole-4-carboxamide

N-(2,2-difluoroethyl)-N-(4-fluorophenyl)-5-methyl-2-(1-methylpyrazol-4-yl)-1,3-oxazole-4-carboxamide (PubChem CID 126779279) has the molecular formula C17H15F3N4O2 and a molecular weight of 364.33 g/mol. Its IUPAC name is N-(2,2-difluoroethyl)-N-(4-fluorophenyl)-5-methyl-2-(1-methylpyrazol-4-yl)-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-(2,2-difluoroethyl)-N-(4-fluorophenyl)-5-methyl-2-(1-methylpyrazol-4-yl)-1,3-oxazole-4-carboxamide
PubChem CID126779279
Molecular FormulaC17H15F3N4O2
Molecular Weight364.33 g/mol
Exact Mass364.11
IUPAC NameN-(2,2-difluoroethyl)-N-(4-fluorophenyl)-5-methyl-2-(1-methylpyrazol-4-yl)-1,3-oxazole-4-carboxamide
SMILESCc1oc(-c2cnn(C)c2)nc1C(=O)N(CC(F)F)c1ccc(F)cc1
InChIInChI=1S/C17H15F3N4O2/c1-10-15(22-16(26-10)11-7-21-23(2)8-11)17(25)24(9-14(19)20)13-5-3-12(18)4-6-13/h3-8,14H,9H2,1-2H3
InChIKeyBUAUSSSHCIBRQQ-UHFFFAOYSA-N
XLogP3.43
TPSA64.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.33
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoroethyl)-N-(4-fluorophenyl)-5-methyl-2-(1-methylpyrazol-4-yl)-1,3-oxazole-4-carboxamide?
The IUPAC name of N-(2,2-difluoroethyl)-N-(4-fluorophenyl)-5-methyl-2-(1-methylpyrazol-4-yl)-1,3-oxazole-4-carboxamide (CID 126779279) is N-(2,2-difluoroethyl)-N-(4-fluorophenyl)-5-methyl-2-(1-methylpyrazol-4-yl)-1,3-oxazole-4-carboxamide.
What is the SMILES notation for N-(2,2-difluoroethyl)-N-(4-fluorophenyl)-5-methyl-2-(1-methylpyrazol-4-yl)-1,3-oxazole-4-carboxamide?
The canonical SMILES for N-(2,2-difluoroethyl)-N-(4-fluorophenyl)-5-methyl-2-(1-methylpyrazol-4-yl)-1,3-oxazole-4-carboxamide is Cc1oc(-c2cnn(C)c2)nc1C(=O)N(CC(F)F)c1ccc(F)cc1.
What is the InChIKey of N-(2,2-difluoroethyl)-N-(4-fluorophenyl)-5-methyl-2-(1-methylpyrazol-4-yl)-1,3-oxazole-4-carboxamide?
The InChIKey is BUAUSSSHCIBRQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F3N4O2/c1-10-15(22-16(26-10)11-7-21-23(2)8-11)17(25)24(9-14(19)20)13-5-3-12(18)4-6-13/h3-8,14H,9H2,1-2H3.
What are the key properties of N-(2,2-difluoroethyl)-N-(4-fluorophenyl)-5-methyl-2-(1-methylpyrazol-4-yl)-1,3-oxazole-4-carboxamide?
N-(2,2-difluoroethyl)-N-(4-fluorophenyl)-5-methyl-2-(1-methylpyrazol-4-yl)-1,3-oxazole-4-carboxamide has a molecular weight of 364.33 g/mol, XLogP of 3.43, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluoroethyl)-N-(4-fluorophenyl)-5-methyl-2-(1-methylpyrazol-4-yl)-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 126779279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).