2-[[4-(6-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]methyl]-5-propan-2-yl-1,3-oxazole

C20H22FN3O — CID 75420703

IUPAC2-[[4-(6-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]methyl]-5-propan-2-yl-1,3-oxazole
SMILESCC(C)c1cnc(CN2CC=C(c3c[nH]c4cc(F)ccc34)CC2)o1
InChIInChI=1S/C20H22FN3O/c1-13(2)19-11-23-20(25-19)12-24-7-5-14(6-8-24)17-10-22-18-9-15(21)3-4-16(17)18/h3-5,9-11,13,22H,6-8,12H2,1-2H3
InChIKeyDBJVQXVRKGZCOP-UHFFFAOYSA-N
MW339.41 g/mol
LogP4.71
Rot. Bonds4

About 2-[[4-(6-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]methyl]-5-propan-2-yl-1,3-oxazole

2-[[4-(6-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]methyl]-5-propan-2-yl-1,3-oxazole (PubChem CID 75420703) has the molecular formula C20H22FN3O and a molecular weight of 339.41 g/mol. Its IUPAC name is 2-[[4-(6-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]methyl]-5-propan-2-yl-1,3-oxazole.

Molecular Properties

Compound Name2-[[4-(6-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]methyl]-5-propan-2-yl-1,3-oxazole
PubChem CID75420703
Molecular FormulaC20H22FN3O
Molecular Weight339.41 g/mol
Exact Mass339.17
IUPAC Name2-[[4-(6-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]methyl]-5-propan-2-yl-1,3-oxazole
SMILESCC(C)c1cnc(CN2CC=C(c3c[nH]c4cc(F)ccc34)CC2)o1
InChIInChI=1S/C20H22FN3O/c1-13(2)19-11-23-20(25-19)12-24-7-5-14(6-8-24)17-10-22-18-9-15(21)3-4-16(17)18/h3-5,9-11,13,22H,6-8,12H2,1-2H3
InChIKeyDBJVQXVRKGZCOP-UHFFFAOYSA-N
XLogP4.71
TPSA45.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.41
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-(6-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]methyl]-5-propan-2-yl-1,3-oxazole?
The IUPAC name of 2-[[4-(6-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]methyl]-5-propan-2-yl-1,3-oxazole (CID 75420703) is 2-[[4-(6-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]methyl]-5-propan-2-yl-1,3-oxazole.
What is the SMILES notation for 2-[[4-(6-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]methyl]-5-propan-2-yl-1,3-oxazole?
The canonical SMILES for 2-[[4-(6-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]methyl]-5-propan-2-yl-1,3-oxazole is CC(C)c1cnc(CN2CC=C(c3c[nH]c4cc(F)ccc34)CC2)o1.
What is the InChIKey of 2-[[4-(6-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]methyl]-5-propan-2-yl-1,3-oxazole?
The InChIKey is DBJVQXVRKGZCOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22FN3O/c1-13(2)19-11-23-20(25-19)12-24-7-5-14(6-8-24)17-10-22-18-9-15(21)3-4-16(17)18/h3-5,9-11,13,22H,6-8,12H2,1-2H3.
What are the key properties of 2-[[4-(6-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]methyl]-5-propan-2-yl-1,3-oxazole?
2-[[4-(6-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]methyl]-5-propan-2-yl-1,3-oxazole has a molecular weight of 339.41 g/mol, XLogP of 4.71, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(6-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]methyl]-5-propan-2-yl-1,3-oxazole is sourced from PubChem (CID 75420703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).