(2R)-N-[[(5R)-3-[(3-fluorophenyl)methyl]-4,5-dihydro-1,2-oxazol-5-yl]methyl]-2-phenylpropanamide

C20H21FN2O2 — CID 42482102

IUPAC(2R)-N-[[(5R)-3-[(3-fluorophenyl)methyl]-4,5-dihydro-1,2-oxazol-5-yl]methyl]-2-phenylpropanamide
SMILESC[C@@H](C(=O)NC[C@H]1CC(Cc2cccc(F)c2)=NO1)c1ccccc1
InChIInChI=1S/C20H21FN2O2/c1-14(16-7-3-2-4-8-16)20(24)22-13-19-12-18(23-25-19)11-15-6-5-9-17(21)10-15/h2-10,14,19H,11-13H2,1H3,(H,22,24)/t14-,19-/m1/s1
InChIKeyQOWLJYZWBZZLGA-AUUYWEPGSA-N
MW340.40 g/mol
LogP3.43
Rot. Bonds6

About (2R)-N-[[(5R)-3-[(3-fluorophenyl)methyl]-4,5-dihydro-1,2-oxazol-5-yl]methyl]-2-phenylpropanamide

(2R)-N-[[(5R)-3-[(3-fluorophenyl)methyl]-4,5-dihydro-1,2-oxazol-5-yl]methyl]-2-phenylpropanamide (PubChem CID 42482102) has the molecular formula C20H21FN2O2 and a molecular weight of 340.40 g/mol. Its IUPAC name is (2R)-N-[[(5R)-3-[(3-fluorophenyl)methyl]-4,5-dihydro-1,2-oxazol-5-yl]methyl]-2-phenylpropanamide.

Molecular Properties

Compound Name(2R)-N-[[(5R)-3-[(3-fluorophenyl)methyl]-4,5-dihydro-1,2-oxazol-5-yl]methyl]-2-phenylpropanamide
PubChem CID42482102
Molecular FormulaC20H21FN2O2
Molecular Weight340.40 g/mol
Exact Mass340.16
IUPAC Name(2R)-N-[[(5R)-3-[(3-fluorophenyl)methyl]-4,5-dihydro-1,2-oxazol-5-yl]methyl]-2-phenylpropanamide
SMILESC[C@@H](C(=O)NC[C@H]1CC(Cc2cccc(F)c2)=NO1)c1ccccc1
InChIInChI=1S/C20H21FN2O2/c1-14(16-7-3-2-4-8-16)20(24)22-13-19-12-18(23-25-19)11-15-6-5-9-17(21)10-15/h2-10,14,19H,11-13H2,1H3,(H,22,24)/t14-,19-/m1/s1
InChIKeyQOWLJYZWBZZLGA-AUUYWEPGSA-N
XLogP3.43
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.40
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[3-[(3-fluorophenyl)methyl]-4,5-dihydro-1,2-oxazol-5-yl]methyl]-2-phenylpropanamide
CID 45205568
(3R)-N-[[(5R)-3-[(3-fluorophenyl)methyl]-4,5-dihydro-1,2-oxazol-5-yl]methyl]-3-(furan-2-yl)-3-phenylpropanamide
CID 26325275
N-[[3-[(3-fluorophenyl)methyl]-4,5-dihydro-1,2-oxazol-5-yl]methyl]-4-phenylbenzamide
CID 45243375
(2R,4R)-N-[[(5S)-3-[(3-fluorophenyl)methyl]-4,5-dihydro-1,2-oxazol-5-yl]methyl]-2-propan-2-yloxane-4-carboxamide
CID 26319225
N-[[3-[(3-fluorophenyl)methyl]-4,5-dihydro-1,2-oxazol-5-yl]methyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
CID 45227430
N-[[3-[(3-fluorophenyl)methyl]-4,5-dihydro-1,2-oxazol-5-yl]methyl]-2-methylsulfanyl-1,3-thiazole-4-carboxamide
CID 45171377
(5S)-N-[(1S)-1-(2-chlorophenyl)ethyl]-3-[(3-fluorophenyl)methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 42169616
(2S)-2-(3-benzoylphenyl)-N-[(3-fluorophenyl)methyl]propanamide
CID 98001029
2,4,5-trifluoro-N-[[(5R)-3-[(4-fluorophenyl)methyl]-4,5-dihydro-1,2-oxazol-5-yl]methyl]benzamide
CID 42247905
N-[(3-fluorophenyl)methyl]-3-(naphthalen-1-ylmethyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 118754931
2-(3-fluorophenyl)-N-[2-(methylamino)ethyl]propanamide
CID 119500340
[(5S)-3-[(3-fluorophenyl)methyl]-4,5-dihydro-1,2-oxazol-5-yl]-[4-[(1S)-1-hydroxy-2-phenylethyl]piperidin-1-yl]methanone
CID 42461995

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[[(5R)-3-[(3-fluorophenyl)methyl]-4,5-dihydro-1,2-oxazol-5-yl]methyl]-2-phenylpropanamide?
The IUPAC name of (2R)-N-[[(5R)-3-[(3-fluorophenyl)methyl]-4,5-dihydro-1,2-oxazol-5-yl]methyl]-2-phenylpropanamide (CID 42482102) is (2R)-N-[[(5R)-3-[(3-fluorophenyl)methyl]-4,5-dihydro-1,2-oxazol-5-yl]methyl]-2-phenylpropanamide.
What is the SMILES notation for (2R)-N-[[(5R)-3-[(3-fluorophenyl)methyl]-4,5-dihydro-1,2-oxazol-5-yl]methyl]-2-phenylpropanamide?
The canonical SMILES for (2R)-N-[[(5R)-3-[(3-fluorophenyl)methyl]-4,5-dihydro-1,2-oxazol-5-yl]methyl]-2-phenylpropanamide is C[C@@H](C(=O)NC[C@H]1CC(Cc2cccc(F)c2)=NO1)c1ccccc1.
What is the InChIKey of (2R)-N-[[(5R)-3-[(3-fluorophenyl)methyl]-4,5-dihydro-1,2-oxazol-5-yl]methyl]-2-phenylpropanamide?
The InChIKey is QOWLJYZWBZZLGA-AUUYWEPGSA-N. The full InChI is InChI=1S/C20H21FN2O2/c1-14(16-7-3-2-4-8-16)20(24)22-13-19-12-18(23-25-19)11-15-6-5-9-17(21)10-15/h2-10,14,19H,11-13H2,1H3,(H,22,24)/t14-,19-/m1/s1.
What are the key properties of (2R)-N-[[(5R)-3-[(3-fluorophenyl)methyl]-4,5-dihydro-1,2-oxazol-5-yl]methyl]-2-phenylpropanamide?
(2R)-N-[[(5R)-3-[(3-fluorophenyl)methyl]-4,5-dihydro-1,2-oxazol-5-yl]methyl]-2-phenylpropanamide has a molecular weight of 340.40 g/mol, XLogP of 3.43, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[[(5R)-3-[(3-fluorophenyl)methyl]-4,5-dihydro-1,2-oxazol-5-yl]methyl]-2-phenylpropanamide is sourced from PubChem (CID 42482102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).