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

C35H27N3O2 — CID 15471881

IUPAC(4S,5R)-2-[6-[(4S,5R)-4,5-diphenyl-4,5-dihydro-1,3-oxazol-2-yl]-2-pyridinyl]-4,5-diphenyl-4,5-dihydro-1,3-oxazole
SMILESc1ccc([C@H]2OC(c3cccc(C4=N[C@@H](c5ccccc5)[C@@H](c5ccccc5)O4)n3)=N[C@H]2c2ccccc2)cc1
InChIInChI=1S/C35H27N3O2/c1-5-14-24(15-6-1)30-32(26-18-9-3-10-19-26)39-34(37-30)28-22-13-23-29(36-28)35-38-31(25-16-7-2-8-17-25)33(40-35)27-20-11-4-12-21-27/h1-23,30-33H/t30-,31-,32+,33+/m0/s1
InChIKeySMYDLHVQRYQCDL-UYEZAFAQSA-N
MW521.62 g/mol
LogP7.60
Rot. Bonds6

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

(4S,5R)-2-[6-[(4S,5R)-4,5-diphenyl-4,5-dihydro-1,3-oxazol-2-yl]-2-pyridinyl]-4,5-diphenyl-4,5-dihydro-1,3-oxazole (PubChem CID 15471881) has the molecular formula C35H27N3O2 and a molecular weight of 521.62 g/mol. Its IUPAC name is (4S,5R)-2-[6-[(4S,5R)-4,5-diphenyl-4,5-dihydro-1,3-oxazol-2-yl]-2-pyridinyl]-4,5-diphenyl-4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name(4S,5R)-2-[6-[(4S,5R)-4,5-diphenyl-4,5-dihydro-1,3-oxazol-2-yl]-2-pyridinyl]-4,5-diphenyl-4,5-dihydro-1,3-oxazole
PubChem CID15471881
Molecular FormulaC35H27N3O2
Molecular Weight521.62 g/mol
Exact Mass521.21
IUPAC Name(4S,5R)-2-[6-[(4S,5R)-4,5-diphenyl-4,5-dihydro-1,3-oxazol-2-yl]-2-pyridinyl]-4,5-diphenyl-4,5-dihydro-1,3-oxazole
SMILESc1ccc([C@H]2OC(c3cccc(C4=N[C@@H](c5ccccc5)[C@@H](c5ccccc5)O4)n3)=N[C@H]2c2ccccc2)cc1
InChIInChI=1S/C35H27N3O2/c1-5-14-24(15-6-1)30-32(26-18-9-3-10-19-26)39-34(37-30)28-22-13-23-29(36-28)35-38-31(25-16-7-2-8-17-25)33(40-35)27-20-11-4-12-21-27/h1-23,30-33H/t30-,31-,32+,33+/m0/s1
InChIKeySMYDLHVQRYQCDL-UYEZAFAQSA-N
XLogP7.60
TPSA56.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500521.62
LogP ≤ 57.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

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Frequently Asked Questions

What is the IUPAC name of (4S,5R)-2-[6-[(4S,5R)-4,5-diphenyl-4,5-dihydro-1,3-oxazol-2-yl]-2-pyridinyl]-4,5-diphenyl-4,5-dihydro-1,3-oxazole?
The IUPAC name of (4S,5R)-2-[6-[(4S,5R)-4,5-diphenyl-4,5-dihydro-1,3-oxazol-2-yl]-2-pyridinyl]-4,5-diphenyl-4,5-dihydro-1,3-oxazole (CID 15471881) is (4S,5R)-2-[6-[(4S,5R)-4,5-diphenyl-4,5-dihydro-1,3-oxazol-2-yl]-2-pyridinyl]-4,5-diphenyl-4,5-dihydro-1,3-oxazole.
What is the SMILES notation for (4S,5R)-2-[6-[(4S,5R)-4,5-diphenyl-4,5-dihydro-1,3-oxazol-2-yl]-2-pyridinyl]-4,5-diphenyl-4,5-dihydro-1,3-oxazole?
The canonical SMILES for (4S,5R)-2-[6-[(4S,5R)-4,5-diphenyl-4,5-dihydro-1,3-oxazol-2-yl]-2-pyridinyl]-4,5-diphenyl-4,5-dihydro-1,3-oxazole is c1ccc([C@H]2OC(c3cccc(C4=N[C@@H](c5ccccc5)[C@@H](c5ccccc5)O4)n3)=N[C@H]2c2ccccc2)cc1.
What is the InChIKey of (4S,5R)-2-[6-[(4S,5R)-4,5-diphenyl-4,5-dihydro-1,3-oxazol-2-yl]-2-pyridinyl]-4,5-diphenyl-4,5-dihydro-1,3-oxazole?
The InChIKey is SMYDLHVQRYQCDL-UYEZAFAQSA-N. The full InChI is InChI=1S/C35H27N3O2/c1-5-14-24(15-6-1)30-32(26-18-9-3-10-19-26)39-34(37-30)28-22-13-23-29(36-28)35-38-31(25-16-7-2-8-17-25)33(40-35)27-20-11-4-12-21-27/h1-23,30-33H/t30-,31-,32+,33+/m0/s1.
What are the key properties of (4S,5R)-2-[6-[(4S,5R)-4,5-diphenyl-4,5-dihydro-1,3-oxazol-2-yl]-2-pyridinyl]-4,5-diphenyl-4,5-dihydro-1,3-oxazole?
(4S,5R)-2-[6-[(4S,5R)-4,5-diphenyl-4,5-dihydro-1,3-oxazol-2-yl]-2-pyridinyl]-4,5-diphenyl-4,5-dihydro-1,3-oxazole has a molecular weight of 521.62 g/mol, XLogP of 7.60, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5R)-2-[6-[(4S,5R)-4,5-diphenyl-4,5-dihydro-1,3-oxazol-2-yl]-2-pyridinyl]-4,5-diphenyl-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 15471881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).