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

C21H19FN2O3 — CID 97003106

IUPAC(5R)-3-(3-fluorophenyl)-N-[(1R)-1-(3-methyl-1-benzofuran-2-yl)ethyl]-4,5-dihydro-1,2-oxazole-5-carboxamide
SMILESCc1c([C@@H](C)NC(=O)[C@H]2CC(c3cccc(F)c3)=NO2)oc2ccccc12
InChIInChI=1S/C21H19FN2O3/c1-12-16-8-3-4-9-18(16)26-20(12)13(2)23-21(25)19-11-17(24-27-19)14-6-5-7-15(22)10-14/h3-10,13,19H,11H2,1-2H3,(H,23,25)/t13-,19-/m1/s1
InChIKeyOIMCFSVTTUFJAN-BFUOFWGJSA-N
MW366.39 g/mol
LogP4.25
Rot. Bonds4

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

(5R)-3-(3-fluorophenyl)-N-[(1R)-1-(3-methyl-1-benzofuran-2-yl)ethyl]-4,5-dihydro-1,2-oxazole-5-carboxamide (PubChem CID 97003106) has the molecular formula C21H19FN2O3 and a molecular weight of 366.39 g/mol. Its IUPAC name is (5R)-3-(3-fluorophenyl)-N-[(1R)-1-(3-methyl-1-benzofuran-2-yl)ethyl]-4,5-dihydro-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound Name(5R)-3-(3-fluorophenyl)-N-[(1R)-1-(3-methyl-1-benzofuran-2-yl)ethyl]-4,5-dihydro-1,2-oxazole-5-carboxamide
PubChem CID97003106
Molecular FormulaC21H19FN2O3
Molecular Weight366.39 g/mol
Exact Mass366.14
IUPAC Name(5R)-3-(3-fluorophenyl)-N-[(1R)-1-(3-methyl-1-benzofuran-2-yl)ethyl]-4,5-dihydro-1,2-oxazole-5-carboxamide
SMILESCc1c([C@@H](C)NC(=O)[C@H]2CC(c3cccc(F)c3)=NO2)oc2ccccc12
InChIInChI=1S/C21H19FN2O3/c1-12-16-8-3-4-9-18(16)26-20(12)13(2)23-21(25)19-11-17(24-27-19)14-6-5-7-15(22)10-14/h3-10,13,19H,11H2,1-2H3,(H,23,25)/t13-,19-/m1/s1
InChIKeyOIMCFSVTTUFJAN-BFUOFWGJSA-N
XLogP4.25
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.39
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(5R)-3-(3-fluorophenyl)-N-[(1S)-1-(3-methyl-1-benzofuran-2-yl)ethyl]-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 97003107
(5R)-N-[(1R)-1-[4-(carbamoylamino)phenyl]ethyl]-3-(3-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 94804498
(5R)-N-[(1R)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethyl]-3-(3-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 38997214
(5R)-N-[(1S)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethyl]-3-(3-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 38997216
(5S)-3-(3-fluorophenyl)-N-(4-methyl-1,3-thiazol-2-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 51940815
N-[(3-fluoro-4-methylphenyl)methyl]-3-(3-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 43071810
3-(3-fluorophenyl)-N-(2-phenylphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 43068940
N-(3-acetamidophenyl)-3-(3-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 43068886
3-(3-fluorophenyl)-N-[4-(3-methylbutanoylamino)phenyl]-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 46427997
(5S)-N-(2-tert-butylpyrimidin-5-yl)-3-(3-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 95234586
3-(3-fluorophenyl)-N-(5-methyl-2-pyridinyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 47028518
N-cyclohexyl-3-(3-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 46427951

Frequently Asked Questions

What is the IUPAC name of (5R)-3-(3-fluorophenyl)-N-[(1R)-1-(3-methyl-1-benzofuran-2-yl)ethyl]-4,5-dihydro-1,2-oxazole-5-carboxamide?
The IUPAC name of (5R)-3-(3-fluorophenyl)-N-[(1R)-1-(3-methyl-1-benzofuran-2-yl)ethyl]-4,5-dihydro-1,2-oxazole-5-carboxamide (CID 97003106) is (5R)-3-(3-fluorophenyl)-N-[(1R)-1-(3-methyl-1-benzofuran-2-yl)ethyl]-4,5-dihydro-1,2-oxazole-5-carboxamide.
What is the SMILES notation for (5R)-3-(3-fluorophenyl)-N-[(1R)-1-(3-methyl-1-benzofuran-2-yl)ethyl]-4,5-dihydro-1,2-oxazole-5-carboxamide?
The canonical SMILES for (5R)-3-(3-fluorophenyl)-N-[(1R)-1-(3-methyl-1-benzofuran-2-yl)ethyl]-4,5-dihydro-1,2-oxazole-5-carboxamide is Cc1c([C@@H](C)NC(=O)[C@H]2CC(c3cccc(F)c3)=NO2)oc2ccccc12.
What is the InChIKey of (5R)-3-(3-fluorophenyl)-N-[(1R)-1-(3-methyl-1-benzofuran-2-yl)ethyl]-4,5-dihydro-1,2-oxazole-5-carboxamide?
The InChIKey is OIMCFSVTTUFJAN-BFUOFWGJSA-N. The full InChI is InChI=1S/C21H19FN2O3/c1-12-16-8-3-4-9-18(16)26-20(12)13(2)23-21(25)19-11-17(24-27-19)14-6-5-7-15(22)10-14/h3-10,13,19H,11H2,1-2H3,(H,23,25)/t13-,19-/m1/s1.
What are the key properties of (5R)-3-(3-fluorophenyl)-N-[(1R)-1-(3-methyl-1-benzofuran-2-yl)ethyl]-4,5-dihydro-1,2-oxazole-5-carboxamide?
(5R)-3-(3-fluorophenyl)-N-[(1R)-1-(3-methyl-1-benzofuran-2-yl)ethyl]-4,5-dihydro-1,2-oxazole-5-carboxamide has a molecular weight of 366.39 g/mol, XLogP of 4.25, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-3-(3-fluorophenyl)-N-[(1R)-1-(3-methyl-1-benzofuran-2-yl)ethyl]-4,5-dihydro-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 97003106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).