(5R)-N-[(R)-(4-fluorophenyl)-[(2R)-oxolan-2-yl]methyl]-5-phenyl-4,5-dihydro-1,2-oxazole-3-carboxamide

C21H21FN2O3 — CID 95163432

IUPAC(5R)-N-[(R)-(4-fluorophenyl)-[(2R)-oxolan-2-yl]methyl]-5-phenyl-4,5-dihydro-1,2-oxazole-3-carboxamide
SMILESO=C(N[C@H](c1ccc(F)cc1)[C@H]1CCCO1)C1=NO[C@@H](c2ccccc2)C1
InChIInChI=1S/C21H21FN2O3/c22-16-10-8-15(9-11-16)20(18-7-4-12-26-18)23-21(25)17-13-19(27-24-17)14-5-2-1-3-6-14/h1-3,5-6,8-11,18-20H,4,7,12-13H2,(H,23,25)/t18-,19-,20-/m1/s1
InChIKeyWTDBFEAKPYCGAV-VAMGGRTRSA-N
MW368.41 g/mol
LogP3.68
Rot. Bonds5

About (5R)-N-[(R)-(4-fluorophenyl)-[(2R)-oxolan-2-yl]methyl]-5-phenyl-4,5-dihydro-1,2-oxazole-3-carboxamide

(5R)-N-[(R)-(4-fluorophenyl)-[(2R)-oxolan-2-yl]methyl]-5-phenyl-4,5-dihydro-1,2-oxazole-3-carboxamide (PubChem CID 95163432) has the molecular formula C21H21FN2O3 and a molecular weight of 368.41 g/mol. Its IUPAC name is (5R)-N-[(R)-(4-fluorophenyl)-[(2R)-oxolan-2-yl]methyl]-5-phenyl-4,5-dihydro-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name(5R)-N-[(R)-(4-fluorophenyl)-[(2R)-oxolan-2-yl]methyl]-5-phenyl-4,5-dihydro-1,2-oxazole-3-carboxamide
PubChem CID95163432
Molecular FormulaC21H21FN2O3
Molecular Weight368.41 g/mol
Exact Mass368.15
IUPAC Name(5R)-N-[(R)-(4-fluorophenyl)-[(2R)-oxolan-2-yl]methyl]-5-phenyl-4,5-dihydro-1,2-oxazole-3-carboxamide
SMILESO=C(N[C@H](c1ccc(F)cc1)[C@H]1CCCO1)C1=NO[C@@H](c2ccccc2)C1
InChIInChI=1S/C21H21FN2O3/c22-16-10-8-15(9-11-16)20(18-7-4-12-26-18)23-21(25)17-13-19(27-24-17)14-5-2-1-3-6-14/h1-3,5-6,8-11,18-20H,4,7,12-13H2,(H,23,25)/t18-,19-,20-/m1/s1
InChIKeyWTDBFEAKPYCGAV-VAMGGRTRSA-N
XLogP3.68
TPSA59.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.41
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(R)-(4-fluorophenyl)-[(2S)-oxolan-2-yl]methyl]-1H-pyrazole-5-carboxamide
CID 94633704
N-[(S)-(4-fluorophenyl)-[(2R)-oxolan-2-yl]methyl]furan-2-carboxamide
CID 94633539
N-[(R)-(4-fluorophenyl)-[(2S)-oxolan-2-yl]methyl]-4-pyrrol-1-ylbenzamide
CID 97018110
1-[(S)-(4-fluorophenyl)-[(2S)-oxolan-2-yl]methyl]-3-pyridin-2-ylurea
CID 94667001
(5R)-N-[(1R)-1-(4-fluorophenyl)ethyl]-N-methyl-5-phenyl-4,5-dihydro-1,2-oxazole-3-carboxamide
CID 52689316
N-[(4-fluorophenyl)-(oxolan-2-yl)methyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 75479531
N-[(4-fluorophenyl)-(oxolan-2-yl)methyl]-1H-pyrrolo[2,3-b]pyridine-3-carboxamide
CID 167985470
N-[(4-fluorophenyl)-(oxolan-2-yl)methyl]-2-oxo-1H-quinoline-4-carboxamide
CID 75404517
N-[(R)-(4-fluorophenyl)-[(2S)-oxolan-2-yl]methyl]-4-morpholin-4-ylbenzamide
CID 95047787
6-(dimethylamino)-N-[(S)-(4-fluorophenyl)-[(2R)-oxolan-2-yl]methyl]pyridine-3-carboxamide
CID 94633691
4-cyclopentyl-N-[(4-fluorophenyl)-(oxolan-2-yl)methyl]piperazine-1-carboxamide
CID 60547818
1-[(4-fluorophenyl)-(oxolan-2-yl)methyl]-3-(5-phenyl-1,3-thiazol-2-yl)urea
CID 60542644

Frequently Asked Questions

What is the IUPAC name of (5R)-N-[(R)-(4-fluorophenyl)-[(2R)-oxolan-2-yl]methyl]-5-phenyl-4,5-dihydro-1,2-oxazole-3-carboxamide?
The IUPAC name of (5R)-N-[(R)-(4-fluorophenyl)-[(2R)-oxolan-2-yl]methyl]-5-phenyl-4,5-dihydro-1,2-oxazole-3-carboxamide (CID 95163432) is (5R)-N-[(R)-(4-fluorophenyl)-[(2R)-oxolan-2-yl]methyl]-5-phenyl-4,5-dihydro-1,2-oxazole-3-carboxamide.
What is the SMILES notation for (5R)-N-[(R)-(4-fluorophenyl)-[(2R)-oxolan-2-yl]methyl]-5-phenyl-4,5-dihydro-1,2-oxazole-3-carboxamide?
The canonical SMILES for (5R)-N-[(R)-(4-fluorophenyl)-[(2R)-oxolan-2-yl]methyl]-5-phenyl-4,5-dihydro-1,2-oxazole-3-carboxamide is O=C(N[C@H](c1ccc(F)cc1)[C@H]1CCCO1)C1=NO[C@@H](c2ccccc2)C1.
What is the InChIKey of (5R)-N-[(R)-(4-fluorophenyl)-[(2R)-oxolan-2-yl]methyl]-5-phenyl-4,5-dihydro-1,2-oxazole-3-carboxamide?
The InChIKey is WTDBFEAKPYCGAV-VAMGGRTRSA-N. The full InChI is InChI=1S/C21H21FN2O3/c22-16-10-8-15(9-11-16)20(18-7-4-12-26-18)23-21(25)17-13-19(27-24-17)14-5-2-1-3-6-14/h1-3,5-6,8-11,18-20H,4,7,12-13H2,(H,23,25)/t18-,19-,20-/m1/s1.
What are the key properties of (5R)-N-[(R)-(4-fluorophenyl)-[(2R)-oxolan-2-yl]methyl]-5-phenyl-4,5-dihydro-1,2-oxazole-3-carboxamide?
(5R)-N-[(R)-(4-fluorophenyl)-[(2R)-oxolan-2-yl]methyl]-5-phenyl-4,5-dihydro-1,2-oxazole-3-carboxamide has a molecular weight of 368.41 g/mol, XLogP of 3.68, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-N-[(R)-(4-fluorophenyl)-[(2R)-oxolan-2-yl]methyl]-5-phenyl-4,5-dihydro-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 95163432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).