(3aR)-2-[3-[(4S)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]-4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazole

C23H24N2O2 — CID 58239388

IUPAC(3aR)-2-[3-[(4S)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]-4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazole
SMILESCC(C)(C)[C@H]1COC(c2cccc(C3=NC4c5ccccc5C[C@H]4O3)c2)=N1
InChIInChI=1S/C23H24N2O2/c1-23(2,3)19-13-26-21(24-19)15-8-6-9-16(11-15)22-25-20-17-10-5-4-7-14(17)12-18(20)27-22/h4-11,18-20H,12-13H2,1-3H3/t18-,19-,20?/m1/s1
InChIKeyJVEYXXIQIGZDMV-LEAGNCFPSA-N
MW360.46 g/mol
LogP4.32
Rot. Bonds2

About (3aR)-2-[3-[(4S)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]-4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazole

(3aR)-2-[3-[(4S)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]-4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazole (PubChem CID 58239388) has the molecular formula C23H24N2O2 and a molecular weight of 360.46 g/mol. Its IUPAC name is (3aR)-2-[3-[(4S)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]-4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazole.

Molecular Properties

Compound Name(3aR)-2-[3-[(4S)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]-4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazole
PubChem CID58239388
Molecular FormulaC23H24N2O2
Molecular Weight360.46 g/mol
Exact Mass360.18
IUPAC Name(3aR)-2-[3-[(4S)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]-4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazole
SMILESCC(C)(C)[C@H]1COC(c2cccc(C3=NC4c5ccccc5C[C@H]4O3)c2)=N1
InChIInChI=1S/C23H24N2O2/c1-23(2,3)19-13-26-21(24-19)15-8-6-9-16(11-15)22-25-20-17-10-5-4-7-14(17)12-18(20)27-22/h4-11,18-20H,12-13H2,1-3H3/t18-,19-,20?/m1/s1
InChIKeyJVEYXXIQIGZDMV-LEAGNCFPSA-N
XLogP4.32
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.46
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (3aR)-2-[3-[(4S)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]-4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of (3aR)-2-[3-[(4S)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]-4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazole?
The IUPAC name of (3aR)-2-[3-[(4S)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]-4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazole (CID 58239388) is (3aR)-2-[3-[(4S)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]-4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazole.
What is the SMILES notation for (3aR)-2-[3-[(4S)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]-4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazole?
The canonical SMILES for (3aR)-2-[3-[(4S)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]-4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazole is CC(C)(C)[C@H]1COC(c2cccc(C3=NC4c5ccccc5C[C@H]4O3)c2)=N1.
What is the InChIKey of (3aR)-2-[3-[(4S)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]-4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazole?
The InChIKey is JVEYXXIQIGZDMV-LEAGNCFPSA-N. The full InChI is InChI=1S/C23H24N2O2/c1-23(2,3)19-13-26-21(24-19)15-8-6-9-16(11-15)22-25-20-17-10-5-4-7-14(17)12-18(20)27-22/h4-11,18-20H,12-13H2,1-3H3/t18-,19-,20?/m1/s1.
What are the key properties of (3aR)-2-[3-[(4S)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]-4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazole?
(3aR)-2-[3-[(4S)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]-4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazole has a molecular weight of 360.46 g/mol, XLogP of 4.32, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3aR)-2-[3-[(4S)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]-4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazole is sourced from PubChem (CID 58239388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).