(4R)-4-[[(1R)-5-[tert-butyl(diphenyl)silyl]oxy-1,2,3,4-tetrahydronaphthalen-1-yl]amino]-4-(4,5-diphenyl-1,3-oxazol-2-yl)butan-1-ol

C45H48N2O3Si — CID 54421594

IUPAC(4R)-4-[[(1R)-5-[tert-butyl(diphenyl)silyl]oxy-1,2,3,4-tetrahydronaphthalen-1-yl]amino]-4-(4,5-diphenyl-1,3-oxazol-2-yl)butan-1-ol
SMILESCC(C)(C)[Si](Oc1cccc2c1CCC[C@H]2N[C@H](CCCO)c1nc(-c2ccccc2)c(-c2ccccc2)o1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C45H48N2O3Si/c1-45(2,3)51(35-23-12-6-13-24-35,36-25-14-7-15-26-36)50-41-31-17-27-37-38(41)28-16-29-39(37)46-40(30-18-32-48)44-47-42(33-19-8-4-9-20-33)43(49-44)34-21-10-5-11-22-34/h4-15,17,19-27,31,39-40,46,48H,16,18,28-30,32H2,1-3H3/t39-,40-/m1/s1
InChIKeyWBEZZJRRGQTFLI-XRSDMRJBSA-N
MW692.98 g/mol
LogP9.43
Rot. Bonds12

About (4R)-4-[[(1R)-5-[tert-butyl(diphenyl)silyl]oxy-1,2,3,4-tetrahydronaphthalen-1-yl]amino]-4-(4,5-diphenyl-1,3-oxazol-2-yl)butan-1-ol

(4R)-4-[[(1R)-5-[tert-butyl(diphenyl)silyl]oxy-1,2,3,4-tetrahydronaphthalen-1-yl]amino]-4-(4,5-diphenyl-1,3-oxazol-2-yl)butan-1-ol (PubChem CID 54421594) has the molecular formula C45H48N2O3Si and a molecular weight of 692.98 g/mol. Its IUPAC name is (4R)-4-[[(1R)-5-[tert-butyl(diphenyl)silyl]oxy-1,2,3,4-tetrahydronaphthalen-1-yl]amino]-4-(4,5-diphenyl-1,3-oxazol-2-yl)butan-1-ol.

Molecular Properties

Compound Name(4R)-4-[[(1R)-5-[tert-butyl(diphenyl)silyl]oxy-1,2,3,4-tetrahydronaphthalen-1-yl]amino]-4-(4,5-diphenyl-1,3-oxazol-2-yl)butan-1-ol
PubChem CID54421594
Molecular FormulaC45H48N2O3Si
Molecular Weight692.98 g/mol
Exact Mass692.34
IUPAC Name(4R)-4-[[(1R)-5-[tert-butyl(diphenyl)silyl]oxy-1,2,3,4-tetrahydronaphthalen-1-yl]amino]-4-(4,5-diphenyl-1,3-oxazol-2-yl)butan-1-ol
SMILESCC(C)(C)[Si](Oc1cccc2c1CCC[C@H]2N[C@H](CCCO)c1nc(-c2ccccc2)c(-c2ccccc2)o1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C45H48N2O3Si/c1-45(2,3)51(35-23-12-6-13-24-35,36-25-14-7-15-26-36)50-41-31-17-27-37-38(41)28-16-29-39(37)46-40(30-18-32-48)44-47-42(33-19-8-4-9-20-33)43(49-44)34-21-10-5-11-22-34/h4-15,17,19-27,31,39-40,46,48H,16,18,28-30,32H2,1-3H3/t39-,40-/m1/s1
InChIKeyWBEZZJRRGQTFLI-XRSDMRJBSA-N
XLogP9.43
TPSA67.52 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500692.98
LogP ≤ 59.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (4R)-4-[[(1R)-5-[tert-butyl(diphenyl)silyl]oxy-1,2,3,4-tetrahydronaphthalen-1-yl]amino]-4-(4,5-diphenyl-1,3-oxazol-2-yl)butan-1-ol?
The IUPAC name of (4R)-4-[[(1R)-5-[tert-butyl(diphenyl)silyl]oxy-1,2,3,4-tetrahydronaphthalen-1-yl]amino]-4-(4,5-diphenyl-1,3-oxazol-2-yl)butan-1-ol (CID 54421594) is (4R)-4-[[(1R)-5-[tert-butyl(diphenyl)silyl]oxy-1,2,3,4-tetrahydronaphthalen-1-yl]amino]-4-(4,5-diphenyl-1,3-oxazol-2-yl)butan-1-ol.
What is the SMILES notation for (4R)-4-[[(1R)-5-[tert-butyl(diphenyl)silyl]oxy-1,2,3,4-tetrahydronaphthalen-1-yl]amino]-4-(4,5-diphenyl-1,3-oxazol-2-yl)butan-1-ol?
The canonical SMILES for (4R)-4-[[(1R)-5-[tert-butyl(diphenyl)silyl]oxy-1,2,3,4-tetrahydronaphthalen-1-yl]amino]-4-(4,5-diphenyl-1,3-oxazol-2-yl)butan-1-ol is CC(C)(C)[Si](Oc1cccc2c1CCC[C@H]2N[C@H](CCCO)c1nc(-c2ccccc2)c(-c2ccccc2)o1)(c1ccccc1)c1ccccc1.
What is the InChIKey of (4R)-4-[[(1R)-5-[tert-butyl(diphenyl)silyl]oxy-1,2,3,4-tetrahydronaphthalen-1-yl]amino]-4-(4,5-diphenyl-1,3-oxazol-2-yl)butan-1-ol?
The InChIKey is WBEZZJRRGQTFLI-XRSDMRJBSA-N. The full InChI is InChI=1S/C45H48N2O3Si/c1-45(2,3)51(35-23-12-6-13-24-35,36-25-14-7-15-26-36)50-41-31-17-27-37-38(41)28-16-29-39(37)46-40(30-18-32-48)44-47-42(33-19-8-4-9-20-33)43(49-44)34-21-10-5-11-22-34/h4-15,17,19-27,31,39-40,46,48H,16,18,28-30,32H2,1-3H3/t39-,40-/m1/s1.
What are the key properties of (4R)-4-[[(1R)-5-[tert-butyl(diphenyl)silyl]oxy-1,2,3,4-tetrahydronaphthalen-1-yl]amino]-4-(4,5-diphenyl-1,3-oxazol-2-yl)butan-1-ol?
(4R)-4-[[(1R)-5-[tert-butyl(diphenyl)silyl]oxy-1,2,3,4-tetrahydronaphthalen-1-yl]amino]-4-(4,5-diphenyl-1,3-oxazol-2-yl)butan-1-ol has a molecular weight of 692.98 g/mol, XLogP of 9.43, 12 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-[[(1R)-5-[tert-butyl(diphenyl)silyl]oxy-1,2,3,4-tetrahydronaphthalen-1-yl]amino]-4-(4,5-diphenyl-1,3-oxazol-2-yl)butan-1-ol is sourced from PubChem (CID 54421594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).