[(5R)-3-[(4-fluorophenyl)methyl]-4,5-dihydro-1,2-oxazol-5-yl]-[(3S)-3-(2-fluorophenyl)pyrrolidin-1-yl]methanone

C21H20F2N2O2 — CID 42342875

IUPAC[(5R)-3-[(4-fluorophenyl)methyl]-4,5-dihydro-1,2-oxazol-5-yl]-[(3S)-3-(2-fluorophenyl)pyrrolidin-1-yl]methanone
SMILESO=C([C@H]1CC(Cc2ccc(F)cc2)=NO1)N1CC[C@@H](c2ccccc2F)C1
InChIInChI=1S/C21H20F2N2O2/c22-16-7-5-14(6-8-16)11-17-12-20(27-24-17)21(26)25-10-9-15(13-25)18-3-1-2-4-19(18)23/h1-8,15,20H,9-13H2/t15-,20-/m1/s1
InChIKeySPIQYBXYUVSQKN-FOIQADDNSA-N
MW370.40 g/mol
LogP3.67
Rot. Bonds4

About [(5R)-3-[(4-fluorophenyl)methyl]-4,5-dihydro-1,2-oxazol-5-yl]-[(3S)-3-(2-fluorophenyl)pyrrolidin-1-yl]methanone

[(5R)-3-[(4-fluorophenyl)methyl]-4,5-dihydro-1,2-oxazol-5-yl]-[(3S)-3-(2-fluorophenyl)pyrrolidin-1-yl]methanone (PubChem CID 42342875) has the molecular formula C21H20F2N2O2 and a molecular weight of 370.40 g/mol. Its IUPAC name is [(5R)-3-[(4-fluorophenyl)methyl]-4,5-dihydro-1,2-oxazol-5-yl]-[(3S)-3-(2-fluorophenyl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name[(5R)-3-[(4-fluorophenyl)methyl]-4,5-dihydro-1,2-oxazol-5-yl]-[(3S)-3-(2-fluorophenyl)pyrrolidin-1-yl]methanone
PubChem CID42342875
Molecular FormulaC21H20F2N2O2
Molecular Weight370.40 g/mol
Exact Mass370.15
IUPAC Name[(5R)-3-[(4-fluorophenyl)methyl]-4,5-dihydro-1,2-oxazol-5-yl]-[(3S)-3-(2-fluorophenyl)pyrrolidin-1-yl]methanone
SMILESO=C([C@H]1CC(Cc2ccc(F)cc2)=NO1)N1CC[C@@H](c2ccccc2F)C1
InChIInChI=1S/C21H20F2N2O2/c22-16-7-5-14(6-8-16)11-17-12-20(27-24-17)21(26)25-10-9-15(13-25)18-3-1-2-4-19(18)23/h1-8,15,20H,9-13H2/t15-,20-/m1/s1
InChIKeySPIQYBXYUVSQKN-FOIQADDNSA-N
XLogP3.67
TPSA41.90 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.40
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[(5R)-3-[(4-fluorophenyl)methyl]-4,5-dihydro-1,2-oxazol-5-yl]-[(3R)-3-(2-fluorophenyl)pyrrolidin-1-yl]methanone
CID 42342881
[1-[(5S)-3-[(4-fluorophenyl)methyl]-4,5-dihydro-1,2-oxazole-5-carbonyl]piperidin-4-yl]-pyrrolidin-1-ylmethanone
CID 42467929
[1-[3-[(4-fluorophenyl)methyl]-4,5-dihydro-1,2-oxazole-5-carbonyl]piperidin-4-yl]-pyrrolidin-1-ylmethanone
CID 45194186
azocan-1-yl-[3-[(4-fluorophenyl)methyl]-4,5-dihydro-1,2-oxazol-5-yl]methanone
CID 45233150
[(5R)-3-[(4-fluorophenyl)methyl]-4,5-dihydro-1,2-oxazol-5-yl]-[4-(2-methoxybenzoyl)piperazin-1-yl]methanone
CID 42189037
[(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
[4-(4-fluorophenyl)sulfanylpiperidin-1-yl]-[3-[(3-methoxyphenyl)methyl]-4,5-dihydro-1,2-oxazol-5-yl]methanone
CID 45179390
[3-(2-fluorophenyl)pyrrolidin-1-yl]-piperidin-2-ylmethanone;hydrochloride
CID 102560004
(3-benzyl-4,5-dihydro-1,2-oxazol-5-yl)-[4-(furan-2-carbonyl)piperazin-1-yl]methanone
CID 45222468
[(5R)-3-benzyl-4,5-dihydro-1,2-oxazol-5-yl]-[4-(furan-2-carbonyl)piperazin-1-yl]methanone
CID 26325624
bis[4-(2-fluorophenyl)piperidin-1-yl]methanone
CID 174617068
[(5R)-3-[(3-chlorophenyl)methyl]-4,5-dihydro-1,2-oxazol-5-yl]-[(3S)-3-methoxypiperidin-1-yl]methanone
CID 26356640

Frequently Asked Questions

What is the IUPAC name of [(5R)-3-[(4-fluorophenyl)methyl]-4,5-dihydro-1,2-oxazol-5-yl]-[(3S)-3-(2-fluorophenyl)pyrrolidin-1-yl]methanone?
The IUPAC name of [(5R)-3-[(4-fluorophenyl)methyl]-4,5-dihydro-1,2-oxazol-5-yl]-[(3S)-3-(2-fluorophenyl)pyrrolidin-1-yl]methanone (CID 42342875) is [(5R)-3-[(4-fluorophenyl)methyl]-4,5-dihydro-1,2-oxazol-5-yl]-[(3S)-3-(2-fluorophenyl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for [(5R)-3-[(4-fluorophenyl)methyl]-4,5-dihydro-1,2-oxazol-5-yl]-[(3S)-3-(2-fluorophenyl)pyrrolidin-1-yl]methanone?
The canonical SMILES for [(5R)-3-[(4-fluorophenyl)methyl]-4,5-dihydro-1,2-oxazol-5-yl]-[(3S)-3-(2-fluorophenyl)pyrrolidin-1-yl]methanone is O=C([C@H]1CC(Cc2ccc(F)cc2)=NO1)N1CC[C@@H](c2ccccc2F)C1.
What is the InChIKey of [(5R)-3-[(4-fluorophenyl)methyl]-4,5-dihydro-1,2-oxazol-5-yl]-[(3S)-3-(2-fluorophenyl)pyrrolidin-1-yl]methanone?
The InChIKey is SPIQYBXYUVSQKN-FOIQADDNSA-N. The full InChI is InChI=1S/C21H20F2N2O2/c22-16-7-5-14(6-8-16)11-17-12-20(27-24-17)21(26)25-10-9-15(13-25)18-3-1-2-4-19(18)23/h1-8,15,20H,9-13H2/t15-,20-/m1/s1.
What are the key properties of [(5R)-3-[(4-fluorophenyl)methyl]-4,5-dihydro-1,2-oxazol-5-yl]-[(3S)-3-(2-fluorophenyl)pyrrolidin-1-yl]methanone?
[(5R)-3-[(4-fluorophenyl)methyl]-4,5-dihydro-1,2-oxazol-5-yl]-[(3S)-3-(2-fluorophenyl)pyrrolidin-1-yl]methanone has a molecular weight of 370.40 g/mol, XLogP of 3.67, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(5R)-3-[(4-fluorophenyl)methyl]-4,5-dihydro-1,2-oxazol-5-yl]-[(3S)-3-(2-fluorophenyl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 42342875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).