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

C22H26N4O2 — CID 10907751

IUPAC(4S)-4-propan-2-yl-2-[6-[6-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]-2-pyridinyl]-2-pyridinyl]-4,5-dihydro-1,3-oxazole
SMILESCC(C)[C@H]1COC(c2cccc(-c3cccc(C4=N[C@@H](C(C)C)CO4)n3)n2)=N1
InChIInChI=1S/C22H26N4O2/c1-13(2)19-11-27-21(25-19)17-9-5-7-15(23-17)16-8-6-10-18(24-16)22-26-20(12-28-22)14(3)4/h5-10,13-14,19-20H,11-12H2,1-4H3/t19-,20-/m1/s1
InChIKeyNNCROLGXDLXLJM-WOJBJXKFSA-N
MW378.48 g/mol
LogP3.75
Rot. Bonds5

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

(4S)-4-propan-2-yl-2-[6-[6-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]-2-pyridinyl]-2-pyridinyl]-4,5-dihydro-1,3-oxazole (PubChem CID 10907751) has the molecular formula C22H26N4O2 and a molecular weight of 378.48 g/mol. Its IUPAC name is (4S)-4-propan-2-yl-2-[6-[6-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]-2-pyridinyl]-2-pyridinyl]-4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name(4S)-4-propan-2-yl-2-[6-[6-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]-2-pyridinyl]-2-pyridinyl]-4,5-dihydro-1,3-oxazole
PubChem CID10907751
Molecular FormulaC22H26N4O2
Molecular Weight378.48 g/mol
Exact Mass378.21
IUPAC Name(4S)-4-propan-2-yl-2-[6-[6-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]-2-pyridinyl]-2-pyridinyl]-4,5-dihydro-1,3-oxazole
SMILESCC(C)[C@H]1COC(c2cccc(-c3cccc(C4=N[C@@H](C(C)C)CO4)n3)n2)=N1
InChIInChI=1S/C22H26N4O2/c1-13(2)19-11-27-21(25-19)17-9-5-7-15(23-17)16-8-6-10-18(24-16)22-26-20(12-28-22)14(3)4/h5-10,13-14,19-20H,11-12H2,1-4H3/t19-,20-/m1/s1
InChIKeyNNCROLGXDLXLJM-WOJBJXKFSA-N
XLogP3.75
TPSA68.96 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.48
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (4S)-4-propan-2-yl-2-[6-[6-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]-2-pyridinyl]-2-pyridinyl]-4,5-dihydro-1,3-oxazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of (4S)-4-propan-2-yl-2-[6-[6-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]-2-pyridinyl]-2-pyridinyl]-4,5-dihydro-1,3-oxazole?
The IUPAC name of (4S)-4-propan-2-yl-2-[6-[6-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]-2-pyridinyl]-2-pyridinyl]-4,5-dihydro-1,3-oxazole (CID 10907751) is (4S)-4-propan-2-yl-2-[6-[6-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]-2-pyridinyl]-2-pyridinyl]-4,5-dihydro-1,3-oxazole.
What is the SMILES notation for (4S)-4-propan-2-yl-2-[6-[6-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]-2-pyridinyl]-2-pyridinyl]-4,5-dihydro-1,3-oxazole?
The canonical SMILES for (4S)-4-propan-2-yl-2-[6-[6-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]-2-pyridinyl]-2-pyridinyl]-4,5-dihydro-1,3-oxazole is CC(C)[C@H]1COC(c2cccc(-c3cccc(C4=N[C@@H](C(C)C)CO4)n3)n2)=N1.
What is the InChIKey of (4S)-4-propan-2-yl-2-[6-[6-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]-2-pyridinyl]-2-pyridinyl]-4,5-dihydro-1,3-oxazole?
The InChIKey is NNCROLGXDLXLJM-WOJBJXKFSA-N. The full InChI is InChI=1S/C22H26N4O2/c1-13(2)19-11-27-21(25-19)17-9-5-7-15(23-17)16-8-6-10-18(24-16)22-26-20(12-28-22)14(3)4/h5-10,13-14,19-20H,11-12H2,1-4H3/t19-,20-/m1/s1.
What are the key properties of (4S)-4-propan-2-yl-2-[6-[6-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]-2-pyridinyl]-2-pyridinyl]-4,5-dihydro-1,3-oxazole?
(4S)-4-propan-2-yl-2-[6-[6-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]-2-pyridinyl]-2-pyridinyl]-4,5-dihydro-1,3-oxazole has a molecular weight of 378.48 g/mol, XLogP of 3.75, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-propan-2-yl-2-[6-[6-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]-2-pyridinyl]-2-pyridinyl]-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 10907751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).