(5S)-N-[2-(2-fluorophenoxy)ethyl]-3-methyl-4,5-dihydro-1,2-oxazole-5-carboxamide

C13H15FN2O3 — CID 95557777

IUPAC(5S)-N-[2-(2-fluorophenoxy)ethyl]-3-methyl-4,5-dihydro-1,2-oxazole-5-carboxamide
SMILESCC1=NO[C@H](C(=O)NCCOc2ccccc2F)C1
InChIInChI=1S/C13H15FN2O3/c1-9-8-12(19-16-9)13(17)15-6-7-18-11-5-3-2-4-10(11)14/h2-5,12H,6-8H2,1H3,(H,15,17)/t12-/m0/s1
InChIKeyJWWYTOSSXSIQJI-LBPRGKRZSA-N
MW266.27 g/mol
LogP1.49
Rot. Bonds5

About (5S)-N-[2-(2-fluorophenoxy)ethyl]-3-methyl-4,5-dihydro-1,2-oxazole-5-carboxamide

(5S)-N-[2-(2-fluorophenoxy)ethyl]-3-methyl-4,5-dihydro-1,2-oxazole-5-carboxamide (PubChem CID 95557777) has the molecular formula C13H15FN2O3 and a molecular weight of 266.27 g/mol. Its IUPAC name is (5S)-N-[2-(2-fluorophenoxy)ethyl]-3-methyl-4,5-dihydro-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound Name(5S)-N-[2-(2-fluorophenoxy)ethyl]-3-methyl-4,5-dihydro-1,2-oxazole-5-carboxamide
PubChem CID95557777
Molecular FormulaC13H15FN2O3
Molecular Weight266.27 g/mol
Exact Mass266.11
IUPAC Name(5S)-N-[2-(2-fluorophenoxy)ethyl]-3-methyl-4,5-dihydro-1,2-oxazole-5-carboxamide
SMILESCC1=NO[C@H](C(=O)NCCOc2ccccc2F)C1
InChIInChI=1S/C13H15FN2O3/c1-9-8-12(19-16-9)13(17)15-6-7-18-11-5-3-2-4-10(11)14/h2-5,12H,6-8H2,1H3,(H,15,17)/t12-/m0/s1
InChIKeyJWWYTOSSXSIQJI-LBPRGKRZSA-N
XLogP1.49
TPSA59.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.27
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (5S)-N-[2-(2-fluorophenoxy)ethyl]-3-methyl-4,5-dihydro-1,2-oxazole-5-carboxamide?
The IUPAC name of (5S)-N-[2-(2-fluorophenoxy)ethyl]-3-methyl-4,5-dihydro-1,2-oxazole-5-carboxamide (CID 95557777) is (5S)-N-[2-(2-fluorophenoxy)ethyl]-3-methyl-4,5-dihydro-1,2-oxazole-5-carboxamide.
What is the SMILES notation for (5S)-N-[2-(2-fluorophenoxy)ethyl]-3-methyl-4,5-dihydro-1,2-oxazole-5-carboxamide?
The canonical SMILES for (5S)-N-[2-(2-fluorophenoxy)ethyl]-3-methyl-4,5-dihydro-1,2-oxazole-5-carboxamide is CC1=NO[C@H](C(=O)NCCOc2ccccc2F)C1.
What is the InChIKey of (5S)-N-[2-(2-fluorophenoxy)ethyl]-3-methyl-4,5-dihydro-1,2-oxazole-5-carboxamide?
The InChIKey is JWWYTOSSXSIQJI-LBPRGKRZSA-N. The full InChI is InChI=1S/C13H15FN2O3/c1-9-8-12(19-16-9)13(17)15-6-7-18-11-5-3-2-4-10(11)14/h2-5,12H,6-8H2,1H3,(H,15,17)/t12-/m0/s1.
What are the key properties of (5S)-N-[2-(2-fluorophenoxy)ethyl]-3-methyl-4,5-dihydro-1,2-oxazole-5-carboxamide?
(5S)-N-[2-(2-fluorophenoxy)ethyl]-3-methyl-4,5-dihydro-1,2-oxazole-5-carboxamide has a molecular weight of 266.27 g/mol, XLogP of 1.49, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-N-[2-(2-fluorophenoxy)ethyl]-3-methyl-4,5-dihydro-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 95557777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).