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

C19H19FN2O2 — CID 51873741

IUPAC(5S)-3-(3-fluorophenyl)-N-[(1S)-1-(2-methylphenyl)ethyl]-4,5-dihydro-1,2-oxazole-5-carboxamide
SMILESCc1ccccc1[C@H](C)NC(=O)[C@@H]1CC(c2cccc(F)c2)=NO1
InChIInChI=1S/C19H19FN2O2/c1-12-6-3-4-9-16(12)13(2)21-19(23)18-11-17(22-24-18)14-7-5-8-15(20)10-14/h3-10,13,18H,11H2,1-2H3,(H,21,23)/t13-,18-/m0/s1
InChIKeyKDJUIISYOIFDEM-UGSOOPFHSA-N
MW326.37 g/mol
LogP3.50
Rot. Bonds4

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

(5S)-3-(3-fluorophenyl)-N-[(1S)-1-(2-methylphenyl)ethyl]-4,5-dihydro-1,2-oxazole-5-carboxamide (PubChem CID 51873741) has the molecular formula C19H19FN2O2 and a molecular weight of 326.37 g/mol. Its IUPAC name is (5S)-3-(3-fluorophenyl)-N-[(1S)-1-(2-methylphenyl)ethyl]-4,5-dihydro-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound Name(5S)-3-(3-fluorophenyl)-N-[(1S)-1-(2-methylphenyl)ethyl]-4,5-dihydro-1,2-oxazole-5-carboxamide
PubChem CID51873741
Molecular FormulaC19H19FN2O2
Molecular Weight326.37 g/mol
Exact Mass326.14
IUPAC Name(5S)-3-(3-fluorophenyl)-N-[(1S)-1-(2-methylphenyl)ethyl]-4,5-dihydro-1,2-oxazole-5-carboxamide
SMILESCc1ccccc1[C@H](C)NC(=O)[C@@H]1CC(c2cccc(F)c2)=NO1
InChIInChI=1S/C19H19FN2O2/c1-12-6-3-4-9-16(12)13(2)21-19(23)18-11-17(22-24-18)14-7-5-8-15(20)10-14/h3-10,13,18H,11H2,1-2H3,(H,21,23)/t13-,18-/m0/s1
InChIKeyKDJUIISYOIFDEM-UGSOOPFHSA-N
XLogP3.50
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.37
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (5S)-3-(3-fluorophenyl)-N-[(1S)-1-(2-methylphenyl)ethyl]-4,5-dihydro-1,2-oxazole-5-carboxamide?
The IUPAC name of (5S)-3-(3-fluorophenyl)-N-[(1S)-1-(2-methylphenyl)ethyl]-4,5-dihydro-1,2-oxazole-5-carboxamide (CID 51873741) is (5S)-3-(3-fluorophenyl)-N-[(1S)-1-(2-methylphenyl)ethyl]-4,5-dihydro-1,2-oxazole-5-carboxamide.
What is the SMILES notation for (5S)-3-(3-fluorophenyl)-N-[(1S)-1-(2-methylphenyl)ethyl]-4,5-dihydro-1,2-oxazole-5-carboxamide?
The canonical SMILES for (5S)-3-(3-fluorophenyl)-N-[(1S)-1-(2-methylphenyl)ethyl]-4,5-dihydro-1,2-oxazole-5-carboxamide is Cc1ccccc1[C@H](C)NC(=O)[C@@H]1CC(c2cccc(F)c2)=NO1.
What is the InChIKey of (5S)-3-(3-fluorophenyl)-N-[(1S)-1-(2-methylphenyl)ethyl]-4,5-dihydro-1,2-oxazole-5-carboxamide?
The InChIKey is KDJUIISYOIFDEM-UGSOOPFHSA-N. The full InChI is InChI=1S/C19H19FN2O2/c1-12-6-3-4-9-16(12)13(2)21-19(23)18-11-17(22-24-18)14-7-5-8-15(20)10-14/h3-10,13,18H,11H2,1-2H3,(H,21,23)/t13-,18-/m0/s1.
What are the key properties of (5S)-3-(3-fluorophenyl)-N-[(1S)-1-(2-methylphenyl)ethyl]-4,5-dihydro-1,2-oxazole-5-carboxamide?
(5S)-3-(3-fluorophenyl)-N-[(1S)-1-(2-methylphenyl)ethyl]-4,5-dihydro-1,2-oxazole-5-carboxamide has a molecular weight of 326.37 g/mol, XLogP of 3.50, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-3-(3-fluorophenyl)-N-[(1S)-1-(2-methylphenyl)ethyl]-4,5-dihydro-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 51873741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).