(4R)-4-phenyl-2-[11-[(4R)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]-10-tetracyclo[6.4.0.04,12.05,9]dodec-10-enyl]-4,5-dihydro-1,3-oxazole

C30H30N2O2 — CID 101386692

IUPAC(4R)-4-phenyl-2-[11-[(4R)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]-10-tetracyclo[6.4.0.04,12.05,9]dodec-10-enyl]-4,5-dihydro-1,3-oxazole
SMILESc1ccc([C@@H]2COC(C3=C(C4=N[C@H](c5ccccc5)CO4)C4C5CCC4C4CCC5C34)=N2)cc1
InChIInChI=1S/C30H30N2O2/c1-3-7-17(8-4-1)23-15-33-29(31-23)27-25-19-11-12-20(25)22-14-13-21(19)26(22)28(27)30-32-24(16-34-30)18-9-5-2-6-10-18/h1-10,19-26H,11-16H2/t19?,20?,21?,22?,23-,24-,25?,26?/m0/s1
InChIKeyPSAHKKJGHIMWOE-MWPYFLHRSA-N
MW450.58 g/mol
LogP5.93
Rot. Bonds4

About (4R)-4-phenyl-2-[11-[(4R)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]-10-tetracyclo[6.4.0.04,12.05,9]dodec-10-enyl]-4,5-dihydro-1,3-oxazole

(4R)-4-phenyl-2-[11-[(4R)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]-10-tetracyclo[6.4.0.04,12.05,9]dodec-10-enyl]-4,5-dihydro-1,3-oxazole (PubChem CID 101386692) has the molecular formula C30H30N2O2 and a molecular weight of 450.58 g/mol. Its IUPAC name is (4R)-4-phenyl-2-[11-[(4R)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]-10-tetracyclo[6.4.0.04,12.05,9]dodec-10-enyl]-4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name(4R)-4-phenyl-2-[11-[(4R)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]-10-tetracyclo[6.4.0.04,12.05,9]dodec-10-enyl]-4,5-dihydro-1,3-oxazole
PubChem CID101386692
Molecular FormulaC30H30N2O2
Molecular Weight450.58 g/mol
Exact Mass450.23
IUPAC Name(4R)-4-phenyl-2-[11-[(4R)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]-10-tetracyclo[6.4.0.04,12.05,9]dodec-10-enyl]-4,5-dihydro-1,3-oxazole
SMILESc1ccc([C@@H]2COC(C3=C(C4=N[C@H](c5ccccc5)CO4)C4C5CCC4C4CCC5C34)=N2)cc1
InChIInChI=1S/C30H30N2O2/c1-3-7-17(8-4-1)23-15-33-29(31-23)27-25-19-11-12-20(25)22-14-13-21(19)26(22)28(27)30-32-24(16-34-30)18-9-5-2-6-10-18/h1-10,19-26H,11-16H2/t19?,20?,21?,22?,23-,24-,25?,26?/m0/s1
InChIKeyPSAHKKJGHIMWOE-MWPYFLHRSA-N
XLogP5.93
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.58
LogP ≤ 55.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (4R)-4-phenyl-2-[11-[(4R)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]-10-tetracyclo[6.4.0.04,12.05,9]dodec-10-enyl]-4,5-dihydro-1,3-oxazole with MolForge

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Related Compounds

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(4S)-4-phenyl-2-pyridin-3-yl-4,5-dihydro-1,3-oxazole
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CID 14919448
(4S)-2-(5-chlorothiophen-2-yl)-4-phenyl-4,5-dihydro-1,3-oxazole
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(4R)-4-phenyl-2-[5-[(4R)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]acridin-4-yl]-4,5-dihydro-1,3-oxazole
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12,25-diphenyl-4,7,17,20-tetraoxa-28,29,31,32-tetrazaheptacyclo[21.3.1.12,5.16,9.110,14.115,18.119,22]dotriaconta-1(27),5(32),6(31),10(30),11,13,18(29),19(28),23,25-decaene
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Frequently Asked Questions

What is the IUPAC name of (4R)-4-phenyl-2-[11-[(4R)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]-10-tetracyclo[6.4.0.04,12.05,9]dodec-10-enyl]-4,5-dihydro-1,3-oxazole?
The IUPAC name of (4R)-4-phenyl-2-[11-[(4R)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]-10-tetracyclo[6.4.0.04,12.05,9]dodec-10-enyl]-4,5-dihydro-1,3-oxazole (CID 101386692) is (4R)-4-phenyl-2-[11-[(4R)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]-10-tetracyclo[6.4.0.04,12.05,9]dodec-10-enyl]-4,5-dihydro-1,3-oxazole.
What is the SMILES notation for (4R)-4-phenyl-2-[11-[(4R)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]-10-tetracyclo[6.4.0.04,12.05,9]dodec-10-enyl]-4,5-dihydro-1,3-oxazole?
The canonical SMILES for (4R)-4-phenyl-2-[11-[(4R)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]-10-tetracyclo[6.4.0.04,12.05,9]dodec-10-enyl]-4,5-dihydro-1,3-oxazole is c1ccc([C@@H]2COC(C3=C(C4=N[C@H](c5ccccc5)CO4)C4C5CCC4C4CCC5C34)=N2)cc1.
What is the InChIKey of (4R)-4-phenyl-2-[11-[(4R)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]-10-tetracyclo[6.4.0.04,12.05,9]dodec-10-enyl]-4,5-dihydro-1,3-oxazole?
The InChIKey is PSAHKKJGHIMWOE-MWPYFLHRSA-N. The full InChI is InChI=1S/C30H30N2O2/c1-3-7-17(8-4-1)23-15-33-29(31-23)27-25-19-11-12-20(25)22-14-13-21(19)26(22)28(27)30-32-24(16-34-30)18-9-5-2-6-10-18/h1-10,19-26H,11-16H2/t19?,20?,21?,22?,23-,24-,25?,26?/m0/s1.
What are the key properties of (4R)-4-phenyl-2-[11-[(4R)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]-10-tetracyclo[6.4.0.04,12.05,9]dodec-10-enyl]-4,5-dihydro-1,3-oxazole?
(4R)-4-phenyl-2-[11-[(4R)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]-10-tetracyclo[6.4.0.04,12.05,9]dodec-10-enyl]-4,5-dihydro-1,3-oxazole has a molecular weight of 450.58 g/mol, XLogP of 5.93, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-phenyl-2-[11-[(4R)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]-10-tetracyclo[6.4.0.04,12.05,9]dodec-10-enyl]-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 101386692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).