N-(3-fluorophenyl)-5-methyl-1,3-oxazole-2-carboxamide

C11H9FN2O2 — CID 84579341

IUPACN-(3-fluorophenyl)-5-methyl-1,3-oxazole-2-carboxamide
SMILESCc1cnc(C(=O)Nc2cccc(F)c2)o1
InChIInChI=1S/C11H9FN2O2/c1-7-6-13-11(16-7)10(15)14-9-4-2-3-8(12)5-9/h2-6H,1H3,(H,14,15)
InChIKeyQVDQUKCNGLDYKN-UHFFFAOYSA-N
MW220.20 g/mol
LogP2.37
Rot. Bonds2

About N-(3-fluorophenyl)-5-methyl-1,3-oxazole-2-carboxamide

N-(3-fluorophenyl)-5-methyl-1,3-oxazole-2-carboxamide (PubChem CID 84579341) has the molecular formula C11H9FN2O2 and a molecular weight of 220.20 g/mol. Its IUPAC name is N-(3-fluorophenyl)-5-methyl-1,3-oxazole-2-carboxamide.

Molecular Properties

Compound NameN-(3-fluorophenyl)-5-methyl-1,3-oxazole-2-carboxamide
PubChem CID84579341
Molecular FormulaC11H9FN2O2
Molecular Weight220.20 g/mol
Exact Mass220.06
IUPAC NameN-(3-fluorophenyl)-5-methyl-1,3-oxazole-2-carboxamide
SMILESCc1cnc(C(=O)Nc2cccc(F)c2)o1
InChIInChI=1S/C11H9FN2O2/c1-7-6-13-11(16-7)10(15)14-9-4-2-3-8(12)5-9/h2-6H,1H3,(H,14,15)
InChIKeyQVDQUKCNGLDYKN-UHFFFAOYSA-N
XLogP2.37
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.20
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3-fluorophenyl)-5-methyl-1,3-oxazole-2-carboxamide?
The IUPAC name of N-(3-fluorophenyl)-5-methyl-1,3-oxazole-2-carboxamide (CID 84579341) is N-(3-fluorophenyl)-5-methyl-1,3-oxazole-2-carboxamide.
What is the SMILES notation for N-(3-fluorophenyl)-5-methyl-1,3-oxazole-2-carboxamide?
The canonical SMILES for N-(3-fluorophenyl)-5-methyl-1,3-oxazole-2-carboxamide is Cc1cnc(C(=O)Nc2cccc(F)c2)o1.
What is the InChIKey of N-(3-fluorophenyl)-5-methyl-1,3-oxazole-2-carboxamide?
The InChIKey is QVDQUKCNGLDYKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9FN2O2/c1-7-6-13-11(16-7)10(15)14-9-4-2-3-8(12)5-9/h2-6H,1H3,(H,14,15).
What are the key properties of N-(3-fluorophenyl)-5-methyl-1,3-oxazole-2-carboxamide?
N-(3-fluorophenyl)-5-methyl-1,3-oxazole-2-carboxamide has a molecular weight of 220.20 g/mol, XLogP of 2.37, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluorophenyl)-5-methyl-1,3-oxazole-2-carboxamide is sourced from PubChem (CID 84579341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).