(4S)-4-propan-2-yl-2-(5-tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaenyl)-4,5-dihydro-1,3-oxazole

C22H25NO — CID 7314597

IUPAC(4S)-4-propan-2-yl-2-(5-tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaenyl)-4,5-dihydro-1,3-oxazole
SMILESCC(C)[C@H]1COC(c2cc3ccc2CCc2ccc(cc2)CC3)=N1
InChIInChI=1S/C22H25NO/c1-15(2)21-14-24-22(23-21)20-13-18-8-7-16-3-5-17(6-4-16)9-11-19(20)12-10-18/h3-6,10,12-13,15,21H,7-9,11,14H2,1-2H3/t21-/m1/s1
InChIKeyGNRSEZXNVULHOY-OAQYLSRUSA-N
MW319.45 g/mol
LogP4.37
Rot. Bonds2

About (4S)-4-propan-2-yl-2-(5-tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaenyl)-4,5-dihydro-1,3-oxazole

(4S)-4-propan-2-yl-2-(5-tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaenyl)-4,5-dihydro-1,3-oxazole (PubChem CID 7314597) has the molecular formula C22H25NO and a molecular weight of 319.45 g/mol. Its IUPAC name is (4S)-4-propan-2-yl-2-(5-tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaenyl)-4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name(4S)-4-propan-2-yl-2-(5-tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaenyl)-4,5-dihydro-1,3-oxazole
PubChem CID7314597
Molecular FormulaC22H25NO
Molecular Weight319.45 g/mol
Exact Mass319.19
IUPAC Name(4S)-4-propan-2-yl-2-(5-tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaenyl)-4,5-dihydro-1,3-oxazole
SMILESCC(C)[C@H]1COC(c2cc3ccc2CCc2ccc(cc2)CC3)=N1
InChIInChI=1S/C22H25NO/c1-15(2)21-14-24-22(23-21)20-13-18-8-7-16-3-5-17(6-4-16)9-11-19(20)12-10-18/h3-6,10,12-13,15,21H,7-9,11,14H2,1-2H3/t21-/m1/s1
InChIKeyGNRSEZXNVULHOY-OAQYLSRUSA-N
XLogP4.37
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.45
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (4S)-4-propan-2-yl-2-(5-tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaenyl)-4,5-dihydro-1,3-oxazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of (4S)-4-propan-2-yl-2-(5-tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaenyl)-4,5-dihydro-1,3-oxazole?
The IUPAC name of (4S)-4-propan-2-yl-2-(5-tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaenyl)-4,5-dihydro-1,3-oxazole (CID 7314597) is (4S)-4-propan-2-yl-2-(5-tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaenyl)-4,5-dihydro-1,3-oxazole.
What is the SMILES notation for (4S)-4-propan-2-yl-2-(5-tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaenyl)-4,5-dihydro-1,3-oxazole?
The canonical SMILES for (4S)-4-propan-2-yl-2-(5-tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaenyl)-4,5-dihydro-1,3-oxazole is CC(C)[C@H]1COC(c2cc3ccc2CCc2ccc(cc2)CC3)=N1.
What is the InChIKey of (4S)-4-propan-2-yl-2-(5-tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaenyl)-4,5-dihydro-1,3-oxazole?
The InChIKey is GNRSEZXNVULHOY-OAQYLSRUSA-N. The full InChI is InChI=1S/C22H25NO/c1-15(2)21-14-24-22(23-21)20-13-18-8-7-16-3-5-17(6-4-16)9-11-19(20)12-10-18/h3-6,10,12-13,15,21H,7-9,11,14H2,1-2H3/t21-/m1/s1.
What are the key properties of (4S)-4-propan-2-yl-2-(5-tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaenyl)-4,5-dihydro-1,3-oxazole?
(4S)-4-propan-2-yl-2-(5-tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaenyl)-4,5-dihydro-1,3-oxazole has a molecular weight of 319.45 g/mol, XLogP of 4.37, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-propan-2-yl-2-(5-tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaenyl)-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 7314597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).