(4S)-2-[6-(dicyclopentylmethyl)-2-pyridinyl]-4-propan-2-yl-4,5-dihydro-1,3-oxazole

C22H32N2O — CID 164890547

IUPAC(4S)-2-[6-(dicyclopentylmethyl)-2-pyridinyl]-4-propan-2-yl-4,5-dihydro-1,3-oxazole
SMILESCC(C)[C@H]1COC(c2cccc(C(C3CCCC3)C3CCCC3)n2)=N1
InChIInChI=1S/C22H32N2O/c1-15(2)20-14-25-22(24-20)19-13-7-12-18(23-19)21(16-8-3-4-9-16)17-10-5-6-11-17/h7,12-13,15-17,20-21H,3-6,8-11,14H2,1-2H3/t20-/m1/s1
InChIKeyCSHLJKOBRIDCHG-HXUWFJFHSA-N
MW340.51 g/mol
LogP5.35
Rot. Bonds5

About (4S)-2-[6-(dicyclopentylmethyl)-2-pyridinyl]-4-propan-2-yl-4,5-dihydro-1,3-oxazole

(4S)-2-[6-(dicyclopentylmethyl)-2-pyridinyl]-4-propan-2-yl-4,5-dihydro-1,3-oxazole (PubChem CID 164890547) has the molecular formula C22H32N2O and a molecular weight of 340.51 g/mol. Its IUPAC name is (4S)-2-[6-(dicyclopentylmethyl)-2-pyridinyl]-4-propan-2-yl-4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name(4S)-2-[6-(dicyclopentylmethyl)-2-pyridinyl]-4-propan-2-yl-4,5-dihydro-1,3-oxazole
PubChem CID164890547
Molecular FormulaC22H32N2O
Molecular Weight340.51 g/mol
Exact Mass340.25
IUPAC Name(4S)-2-[6-(dicyclopentylmethyl)-2-pyridinyl]-4-propan-2-yl-4,5-dihydro-1,3-oxazole
SMILESCC(C)[C@H]1COC(c2cccc(C(C3CCCC3)C3CCCC3)n2)=N1
InChIInChI=1S/C22H32N2O/c1-15(2)20-14-25-22(24-20)19-13-7-12-18(23-19)21(16-8-3-4-9-16)17-10-5-6-11-17/h7,12-13,15-17,20-21H,3-6,8-11,14H2,1-2H3/t20-/m1/s1
InChIKeyCSHLJKOBRIDCHG-HXUWFJFHSA-N
XLogP5.35
TPSA34.48 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.51
LogP ≤ 55.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4S)-2-[6-(dicyclopentylmethyl)-2-pyridinyl]-4-propan-2-yl-4,5-dihydro-1,3-oxazole?
The IUPAC name of (4S)-2-[6-(dicyclopentylmethyl)-2-pyridinyl]-4-propan-2-yl-4,5-dihydro-1,3-oxazole (CID 164890547) is (4S)-2-[6-(dicyclopentylmethyl)-2-pyridinyl]-4-propan-2-yl-4,5-dihydro-1,3-oxazole.
What is the SMILES notation for (4S)-2-[6-(dicyclopentylmethyl)-2-pyridinyl]-4-propan-2-yl-4,5-dihydro-1,3-oxazole?
The canonical SMILES for (4S)-2-[6-(dicyclopentylmethyl)-2-pyridinyl]-4-propan-2-yl-4,5-dihydro-1,3-oxazole is CC(C)[C@H]1COC(c2cccc(C(C3CCCC3)C3CCCC3)n2)=N1.
What is the InChIKey of (4S)-2-[6-(dicyclopentylmethyl)-2-pyridinyl]-4-propan-2-yl-4,5-dihydro-1,3-oxazole?
The InChIKey is CSHLJKOBRIDCHG-HXUWFJFHSA-N. The full InChI is InChI=1S/C22H32N2O/c1-15(2)20-14-25-22(24-20)19-13-7-12-18(23-19)21(16-8-3-4-9-16)17-10-5-6-11-17/h7,12-13,15-17,20-21H,3-6,8-11,14H2,1-2H3/t20-/m1/s1.
What are the key properties of (4S)-2-[6-(dicyclopentylmethyl)-2-pyridinyl]-4-propan-2-yl-4,5-dihydro-1,3-oxazole?
(4S)-2-[6-(dicyclopentylmethyl)-2-pyridinyl]-4-propan-2-yl-4,5-dihydro-1,3-oxazole has a molecular weight of 340.51 g/mol, XLogP of 5.35, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-2-[6-(dicyclopentylmethyl)-2-pyridinyl]-4-propan-2-yl-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 164890547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).