(4S)-4-phenyl-2-[8-[(4S)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]-9H-carbazol-1-yl]-4,5-dihydro-1,3-oxazole

C30H23N3O2 — CID 11442483

IUPAC(4S)-4-phenyl-2-[8-[(4S)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]-9H-carbazol-1-yl]-4,5-dihydro-1,3-oxazole
SMILESc1ccc([C@H]2COC(c3cccc4c3[nH]c3c(C5=N[C@@H](c6ccccc6)CO5)cccc34)=N2)cc1
InChIInChI=1S/C30H23N3O2/c1-3-9-19(10-4-1)25-17-34-29(31-25)23-15-7-13-21-22-14-8-16-24(28(22)33-27(21)23)30-32-26(18-35-30)20-11-5-2-6-12-20/h1-16,25-26,33H,17-18H2/t25-,26-/m1/s1
InChIKeyUNKTUBAINWCHDD-CLJLJLNGSA-N
MW457.53 g/mol
LogP6.36
Rot. Bonds4

About (4S)-4-phenyl-2-[8-[(4S)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]-9H-carbazol-1-yl]-4,5-dihydro-1,3-oxazole

(4S)-4-phenyl-2-[8-[(4S)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]-9H-carbazol-1-yl]-4,5-dihydro-1,3-oxazole (PubChem CID 11442483) has the molecular formula C30H23N3O2 and a molecular weight of 457.53 g/mol. Its IUPAC name is (4S)-4-phenyl-2-[8-[(4S)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]-9H-carbazol-1-yl]-4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name(4S)-4-phenyl-2-[8-[(4S)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]-9H-carbazol-1-yl]-4,5-dihydro-1,3-oxazole
PubChem CID11442483
Molecular FormulaC30H23N3O2
Molecular Weight457.53 g/mol
Exact Mass457.18
IUPAC Name(4S)-4-phenyl-2-[8-[(4S)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]-9H-carbazol-1-yl]-4,5-dihydro-1,3-oxazole
SMILESc1ccc([C@H]2COC(c3cccc4c3[nH]c3c(C5=N[C@@H](c6ccccc6)CO5)cccc34)=N2)cc1
InChIInChI=1S/C30H23N3O2/c1-3-9-19(10-4-1)25-17-34-29(31-25)23-15-7-13-21-22-14-8-16-24(28(22)33-27(21)23)30-32-26(18-35-30)20-11-5-2-6-12-20/h1-16,25-26,33H,17-18H2/t25-,26-/m1/s1
InChIKeyUNKTUBAINWCHDD-CLJLJLNGSA-N
XLogP6.36
TPSA58.97 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500457.53
LogP ≤ 56.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (4S)-4-phenyl-2-[8-[(4S)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]-9H-carbazol-1-yl]-4,5-dihydro-1,3-oxazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of (4S)-4-phenyl-2-[8-[(4S)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]-9H-carbazol-1-yl]-4,5-dihydro-1,3-oxazole?
The IUPAC name of (4S)-4-phenyl-2-[8-[(4S)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]-9H-carbazol-1-yl]-4,5-dihydro-1,3-oxazole (CID 11442483) is (4S)-4-phenyl-2-[8-[(4S)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]-9H-carbazol-1-yl]-4,5-dihydro-1,3-oxazole.
What is the SMILES notation for (4S)-4-phenyl-2-[8-[(4S)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]-9H-carbazol-1-yl]-4,5-dihydro-1,3-oxazole?
The canonical SMILES for (4S)-4-phenyl-2-[8-[(4S)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]-9H-carbazol-1-yl]-4,5-dihydro-1,3-oxazole is c1ccc([C@H]2COC(c3cccc4c3[nH]c3c(C5=N[C@@H](c6ccccc6)CO5)cccc34)=N2)cc1.
What is the InChIKey of (4S)-4-phenyl-2-[8-[(4S)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]-9H-carbazol-1-yl]-4,5-dihydro-1,3-oxazole?
The InChIKey is UNKTUBAINWCHDD-CLJLJLNGSA-N. The full InChI is InChI=1S/C30H23N3O2/c1-3-9-19(10-4-1)25-17-34-29(31-25)23-15-7-13-21-22-14-8-16-24(28(22)33-27(21)23)30-32-26(18-35-30)20-11-5-2-6-12-20/h1-16,25-26,33H,17-18H2/t25-,26-/m1/s1.
What are the key properties of (4S)-4-phenyl-2-[8-[(4S)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]-9H-carbazol-1-yl]-4,5-dihydro-1,3-oxazole?
(4S)-4-phenyl-2-[8-[(4S)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]-9H-carbazol-1-yl]-4,5-dihydro-1,3-oxazole has a molecular weight of 457.53 g/mol, XLogP of 6.36, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-phenyl-2-[8-[(4S)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]-9H-carbazol-1-yl]-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 11442483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).