5-[(3R)-1-benzylpyrrolidin-3-yl]-3-(3-fluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine

C23H24FN3O — CID 92770480

IUPAC5-[(3R)-1-benzylpyrrolidin-3-yl]-3-(3-fluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine
SMILESFc1cccc(-c2noc3c2CN([C@@H]2CCN(Cc4ccccc4)C2)CC3)c1
InChIInChI=1S/C23H24FN3O/c24-19-8-4-7-18(13-19)23-21-16-27(12-10-22(21)28-25-23)20-9-11-26(15-20)14-17-5-2-1-3-6-17/h1-8,13,20H,9-12,14-16H2/t20-/m1/s1
InChIKeyRDSSKPQNTDOJPT-HXUWFJFHSA-N
MW377.46 g/mol
LogP4.11
Rot. Bonds4

About 5-[(3R)-1-benzylpyrrolidin-3-yl]-3-(3-fluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine

5-[(3R)-1-benzylpyrrolidin-3-yl]-3-(3-fluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine (PubChem CID 92770480) has the molecular formula C23H24FN3O and a molecular weight of 377.46 g/mol. Its IUPAC name is 5-[(3R)-1-benzylpyrrolidin-3-yl]-3-(3-fluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine.

Molecular Properties

Compound Name5-[(3R)-1-benzylpyrrolidin-3-yl]-3-(3-fluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine
PubChem CID92770480
Molecular FormulaC23H24FN3O
Molecular Weight377.46 g/mol
Exact Mass377.19
IUPAC Name5-[(3R)-1-benzylpyrrolidin-3-yl]-3-(3-fluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine
SMILESFc1cccc(-c2noc3c2CN([C@@H]2CCN(Cc4ccccc4)C2)CC3)c1
InChIInChI=1S/C23H24FN3O/c24-19-8-4-7-18(13-19)23-21-16-27(12-10-22(21)28-25-23)20-9-11-26(15-20)14-17-5-2-1-3-6-17/h1-8,13,20H,9-12,14-16H2/t20-/m1/s1
InChIKeyRDSSKPQNTDOJPT-HXUWFJFHSA-N
XLogP4.11
TPSA32.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.46
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-(3-fluorophenyl)-5-(2,2,6,6-tetramethylpiperidin-4-yl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine
CID 56740545
2-[[3-(3-fluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]methyl]benzoic acid
CID 56742227
5-[(5-cyclopropyl-1-methylpyrazol-4-yl)methyl]-3-(3-fluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine
CID 56757738
5-(1,3-benzodioxol-4-ylmethyl)-3-(3-fluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine
CID 29022737
5-[[3-(3-fluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]methyl]-1,3-oxazolidin-2-one
CID 56756683
1-(1-benzylpiperidin-4-yl)-4-[(3-fluorophenyl)methyl]piperazine
CID 1361233
5-(cyclopropylmethyl)-3-phenyl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine
CID 56743156
5-benzyl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-3-amine
CID 83850276
2-[[3-(3-fluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]methyl]-5-methoxypyran-4-one
CID 56744214
5-[[3-(3-fluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]methyl]-N-methyl-1,2,4-oxadiazole-3-carboxamide
CID 56745598
2-amino-1-[3-(3-fluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]-2-methylpropan-1-one
CID 56758823
3-(3,4-difluorophenyl)-5-[[3-(2-methoxyethoxy)phenyl]methyl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine
CID 16677690

Frequently Asked Questions

What is the IUPAC name of 5-[(3R)-1-benzylpyrrolidin-3-yl]-3-(3-fluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine?
The IUPAC name of 5-[(3R)-1-benzylpyrrolidin-3-yl]-3-(3-fluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine (CID 92770480) is 5-[(3R)-1-benzylpyrrolidin-3-yl]-3-(3-fluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine.
What is the SMILES notation for 5-[(3R)-1-benzylpyrrolidin-3-yl]-3-(3-fluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine?
The canonical SMILES for 5-[(3R)-1-benzylpyrrolidin-3-yl]-3-(3-fluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine is Fc1cccc(-c2noc3c2CN([C@@H]2CCN(Cc4ccccc4)C2)CC3)c1.
What is the InChIKey of 5-[(3R)-1-benzylpyrrolidin-3-yl]-3-(3-fluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine?
The InChIKey is RDSSKPQNTDOJPT-HXUWFJFHSA-N. The full InChI is InChI=1S/C23H24FN3O/c24-19-8-4-7-18(13-19)23-21-16-27(12-10-22(21)28-25-23)20-9-11-26(15-20)14-17-5-2-1-3-6-17/h1-8,13,20H,9-12,14-16H2/t20-/m1/s1.
What are the key properties of 5-[(3R)-1-benzylpyrrolidin-3-yl]-3-(3-fluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine?
5-[(3R)-1-benzylpyrrolidin-3-yl]-3-(3-fluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine has a molecular weight of 377.46 g/mol, XLogP of 4.11, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3R)-1-benzylpyrrolidin-3-yl]-3-(3-fluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine is sourced from PubChem (CID 92770480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).