(4S)-4-phenyl-2-[1-[(4S)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]cyclohexyl]-4,5-dihydro-1,3-oxazole

C24H26N2O2 — CID 101340771

IUPAC(4S)-4-phenyl-2-[1-[(4S)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]cyclohexyl]-4,5-dihydro-1,3-oxazole
SMILESc1ccc([C@H]2COC(C3(C4=N[C@@H](c5ccccc5)CO4)CCCCC3)=N2)cc1
InChIInChI=1S/C24H26N2O2/c1-4-10-18(11-5-1)20-16-27-22(25-20)24(14-8-3-9-15-24)23-26-21(17-28-23)19-12-6-2-7-13-19/h1-2,4-7,10-13,20-21H,3,8-9,14-17H2/t20-,21-/m1/s1
InChIKeyUCQNNOPAGMJZGM-NHCUHLMSSA-N
MW374.48 g/mol
LogP5.28
Rot. Bonds4

About (4S)-4-phenyl-2-[1-[(4S)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]cyclohexyl]-4,5-dihydro-1,3-oxazole

(4S)-4-phenyl-2-[1-[(4S)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]cyclohexyl]-4,5-dihydro-1,3-oxazole (PubChem CID 101340771) has the molecular formula C24H26N2O2 and a molecular weight of 374.48 g/mol. Its IUPAC name is (4S)-4-phenyl-2-[1-[(4S)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]cyclohexyl]-4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name(4S)-4-phenyl-2-[1-[(4S)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]cyclohexyl]-4,5-dihydro-1,3-oxazole
PubChem CID101340771
Molecular FormulaC24H26N2O2
Molecular Weight374.48 g/mol
Exact Mass374.20
IUPAC Name(4S)-4-phenyl-2-[1-[(4S)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]cyclohexyl]-4,5-dihydro-1,3-oxazole
SMILESc1ccc([C@H]2COC(C3(C4=N[C@@H](c5ccccc5)CO4)CCCCC3)=N2)cc1
InChIInChI=1S/C24H26N2O2/c1-4-10-18(11-5-1)20-16-27-22(25-20)24(14-8-3-9-15-24)23-26-21(17-28-23)19-12-6-2-7-13-19/h1-2,4-7,10-13,20-21H,3,8-9,14-17H2/t20-,21-/m1/s1
InChIKeyUCQNNOPAGMJZGM-NHCUHLMSSA-N
XLogP5.28
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.48
LogP ≤ 55.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4S)-4-phenyl-2-[1-[(4S)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]cyclohexyl]-4,5-dihydro-1,3-oxazole?
The IUPAC name of (4S)-4-phenyl-2-[1-[(4S)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]cyclohexyl]-4,5-dihydro-1,3-oxazole (CID 101340771) is (4S)-4-phenyl-2-[1-[(4S)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]cyclohexyl]-4,5-dihydro-1,3-oxazole.
What is the SMILES notation for (4S)-4-phenyl-2-[1-[(4S)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]cyclohexyl]-4,5-dihydro-1,3-oxazole?
The canonical SMILES for (4S)-4-phenyl-2-[1-[(4S)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]cyclohexyl]-4,5-dihydro-1,3-oxazole is c1ccc([C@H]2COC(C3(C4=N[C@@H](c5ccccc5)CO4)CCCCC3)=N2)cc1.
What is the InChIKey of (4S)-4-phenyl-2-[1-[(4S)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]cyclohexyl]-4,5-dihydro-1,3-oxazole?
The InChIKey is UCQNNOPAGMJZGM-NHCUHLMSSA-N. The full InChI is InChI=1S/C24H26N2O2/c1-4-10-18(11-5-1)20-16-27-22(25-20)24(14-8-3-9-15-24)23-26-21(17-28-23)19-12-6-2-7-13-19/h1-2,4-7,10-13,20-21H,3,8-9,14-17H2/t20-,21-/m1/s1.
What are the key properties of (4S)-4-phenyl-2-[1-[(4S)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]cyclohexyl]-4,5-dihydro-1,3-oxazole?
(4S)-4-phenyl-2-[1-[(4S)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]cyclohexyl]-4,5-dihydro-1,3-oxazole has a molecular weight of 374.48 g/mol, XLogP of 5.28, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-phenyl-2-[1-[(4S)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]cyclohexyl]-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 101340771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).