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

C27H27N3O2 — CID 56958442

IUPAC(4S)-4-(2-phenylethyl)-2-[6-[(4S)-4-(2-phenylethyl)-4,5-dihydro-1,3-oxazol-2-yl]-2-pyridinyl]-4,5-dihydro-1,3-oxazole
SMILESc1ccc(CC[C@H]2COC(c3cccc(C4=N[C@@H](CCc5ccccc5)CO4)n3)=N2)cc1
InChIInChI=1S/C27H27N3O2/c1-3-8-20(9-4-1)14-16-22-18-31-26(28-22)24-12-7-13-25(30-24)27-29-23(19-32-27)17-15-21-10-5-2-6-11-21/h1-13,22-23H,14-19H2/t22-,23-/m0/s1
InChIKeyIYRZZMJRGHERQU-GOTSBHOMSA-N
MW425.53 g/mol
LogP4.64
Rot. Bonds8

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

(4S)-4-(2-phenylethyl)-2-[6-[(4S)-4-(2-phenylethyl)-4,5-dihydro-1,3-oxazol-2-yl]-2-pyridinyl]-4,5-dihydro-1,3-oxazole (PubChem CID 56958442) has the molecular formula C27H27N3O2 and a molecular weight of 425.53 g/mol. Its IUPAC name is (4S)-4-(2-phenylethyl)-2-[6-[(4S)-4-(2-phenylethyl)-4,5-dihydro-1,3-oxazol-2-yl]-2-pyridinyl]-4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name(4S)-4-(2-phenylethyl)-2-[6-[(4S)-4-(2-phenylethyl)-4,5-dihydro-1,3-oxazol-2-yl]-2-pyridinyl]-4,5-dihydro-1,3-oxazole
PubChem CID56958442
Molecular FormulaC27H27N3O2
Molecular Weight425.53 g/mol
Exact Mass425.21
IUPAC Name(4S)-4-(2-phenylethyl)-2-[6-[(4S)-4-(2-phenylethyl)-4,5-dihydro-1,3-oxazol-2-yl]-2-pyridinyl]-4,5-dihydro-1,3-oxazole
SMILESc1ccc(CC[C@H]2COC(c3cccc(C4=N[C@@H](CCc5ccccc5)CO4)n3)=N2)cc1
InChIInChI=1S/C27H27N3O2/c1-3-8-20(9-4-1)14-16-22-18-31-26(28-22)24-12-7-13-25(30-24)27-29-23(19-32-27)17-15-21-10-5-2-6-11-21/h1-13,22-23H,14-19H2/t22-,23-/m0/s1
InChIKeyIYRZZMJRGHERQU-GOTSBHOMSA-N
XLogP4.64
TPSA56.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.53
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (4S)-4-(2-phenylethyl)-2-[6-[(4S)-4-(2-phenylethyl)-4,5-dihydro-1,3-oxazol-2-yl]-2-pyridinyl]-4,5-dihydro-1,3-oxazole?
The IUPAC name of (4S)-4-(2-phenylethyl)-2-[6-[(4S)-4-(2-phenylethyl)-4,5-dihydro-1,3-oxazol-2-yl]-2-pyridinyl]-4,5-dihydro-1,3-oxazole (CID 56958442) is (4S)-4-(2-phenylethyl)-2-[6-[(4S)-4-(2-phenylethyl)-4,5-dihydro-1,3-oxazol-2-yl]-2-pyridinyl]-4,5-dihydro-1,3-oxazole.
What is the SMILES notation for (4S)-4-(2-phenylethyl)-2-[6-[(4S)-4-(2-phenylethyl)-4,5-dihydro-1,3-oxazol-2-yl]-2-pyridinyl]-4,5-dihydro-1,3-oxazole?
The canonical SMILES for (4S)-4-(2-phenylethyl)-2-[6-[(4S)-4-(2-phenylethyl)-4,5-dihydro-1,3-oxazol-2-yl]-2-pyridinyl]-4,5-dihydro-1,3-oxazole is c1ccc(CC[C@H]2COC(c3cccc(C4=N[C@@H](CCc5ccccc5)CO4)n3)=N2)cc1.
What is the InChIKey of (4S)-4-(2-phenylethyl)-2-[6-[(4S)-4-(2-phenylethyl)-4,5-dihydro-1,3-oxazol-2-yl]-2-pyridinyl]-4,5-dihydro-1,3-oxazole?
The InChIKey is IYRZZMJRGHERQU-GOTSBHOMSA-N. The full InChI is InChI=1S/C27H27N3O2/c1-3-8-20(9-4-1)14-16-22-18-31-26(28-22)24-12-7-13-25(30-24)27-29-23(19-32-27)17-15-21-10-5-2-6-11-21/h1-13,22-23H,14-19H2/t22-,23-/m0/s1.
What are the key properties of (4S)-4-(2-phenylethyl)-2-[6-[(4S)-4-(2-phenylethyl)-4,5-dihydro-1,3-oxazol-2-yl]-2-pyridinyl]-4,5-dihydro-1,3-oxazole?
(4S)-4-(2-phenylethyl)-2-[6-[(4S)-4-(2-phenylethyl)-4,5-dihydro-1,3-oxazol-2-yl]-2-pyridinyl]-4,5-dihydro-1,3-oxazole has a molecular weight of 425.53 g/mol, XLogP of 4.64, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-(2-phenylethyl)-2-[6-[(4S)-4-(2-phenylethyl)-4,5-dihydro-1,3-oxazol-2-yl]-2-pyridinyl]-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 56958442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).