(5R)-3-(2,5-difluorophenyl)-N-methyl-4,5-dihydro-1,2-oxazole-5-carboxamide

C11H10F2N2O2 — CID 95171621

IUPAC(5R)-3-(2,5-difluorophenyl)-N-methyl-4,5-dihydro-1,2-oxazole-5-carboxamide
SMILESCNC(=O)[C@H]1CC(c2cc(F)ccc2F)=NO1
InChIInChI=1S/C11H10F2N2O2/c1-14-11(16)10-5-9(15-17-10)7-4-6(12)2-3-8(7)13/h2-4,10H,5H2,1H3,(H,14,16)/t10-/m1/s1
InChIKeyNWWIDGWGYFGBID-SNVBAGLBSA-N
MW240.21 g/mol
LogP1.20
Rot. Bonds2

About (5R)-3-(2,5-difluorophenyl)-N-methyl-4,5-dihydro-1,2-oxazole-5-carboxamide

(5R)-3-(2,5-difluorophenyl)-N-methyl-4,5-dihydro-1,2-oxazole-5-carboxamide (PubChem CID 95171621) has the molecular formula C11H10F2N2O2 and a molecular weight of 240.21 g/mol. Its IUPAC name is (5R)-3-(2,5-difluorophenyl)-N-methyl-4,5-dihydro-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound Name(5R)-3-(2,5-difluorophenyl)-N-methyl-4,5-dihydro-1,2-oxazole-5-carboxamide
PubChem CID95171621
Molecular FormulaC11H10F2N2O2
Molecular Weight240.21 g/mol
Exact Mass240.07
IUPAC Name(5R)-3-(2,5-difluorophenyl)-N-methyl-4,5-dihydro-1,2-oxazole-5-carboxamide
SMILESCNC(=O)[C@H]1CC(c2cc(F)ccc2F)=NO1
InChIInChI=1S/C11H10F2N2O2/c1-14-11(16)10-5-9(15-17-10)7-4-6(12)2-3-8(7)13/h2-4,10H,5H2,1H3,(H,14,16)/t10-/m1/s1
InChIKeyNWWIDGWGYFGBID-SNVBAGLBSA-N
XLogP1.20
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.21
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (5R)-3-(2,5-difluorophenyl)-N-methyl-4,5-dihydro-1,2-oxazole-5-carboxamide?
The IUPAC name of (5R)-3-(2,5-difluorophenyl)-N-methyl-4,5-dihydro-1,2-oxazole-5-carboxamide (CID 95171621) is (5R)-3-(2,5-difluorophenyl)-N-methyl-4,5-dihydro-1,2-oxazole-5-carboxamide.
What is the SMILES notation for (5R)-3-(2,5-difluorophenyl)-N-methyl-4,5-dihydro-1,2-oxazole-5-carboxamide?
The canonical SMILES for (5R)-3-(2,5-difluorophenyl)-N-methyl-4,5-dihydro-1,2-oxazole-5-carboxamide is CNC(=O)[C@H]1CC(c2cc(F)ccc2F)=NO1.
What is the InChIKey of (5R)-3-(2,5-difluorophenyl)-N-methyl-4,5-dihydro-1,2-oxazole-5-carboxamide?
The InChIKey is NWWIDGWGYFGBID-SNVBAGLBSA-N. The full InChI is InChI=1S/C11H10F2N2O2/c1-14-11(16)10-5-9(15-17-10)7-4-6(12)2-3-8(7)13/h2-4,10H,5H2,1H3,(H,14,16)/t10-/m1/s1.
What are the key properties of (5R)-3-(2,5-difluorophenyl)-N-methyl-4,5-dihydro-1,2-oxazole-5-carboxamide?
(5R)-3-(2,5-difluorophenyl)-N-methyl-4,5-dihydro-1,2-oxazole-5-carboxamide has a molecular weight of 240.21 g/mol, XLogP of 1.20, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-3-(2,5-difluorophenyl)-N-methyl-4,5-dihydro-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 95171621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).