(4R,5R)-2-[3-tert-butyl-5-[6-tert-butyl-9-(4-tert-butyl-2-pyridinyl)carbazol-2-yl]oxyphenyl]-4-cyclohexyl-5-phenyl-4,5-dihydro-1,3-oxazole

C50H57N3O2 — CID 170932836

About (4R,5R)-2-[3-tert-butyl-5-[6-tert-butyl-9-(4-tert-butyl-2-pyridinyl)carbazol-2-yl]oxyphenyl]-4-cyclohexyl-5-phenyl-4,5-dihydro-1,3-oxazole

(4R,5R)-2-[3-tert-butyl-5-[6-tert-butyl-9-(4-tert-butyl-2-pyridinyl)carbazol-2-yl]oxyphenyl]-4-cyclohexyl-5-phenyl-4,5-dihydro-1,3-oxazole (PubChem CID 170932836) has the molecular formula C50H57N3O2 and a molecular weight of 732.03 g/mol. Its IUPAC name is (4R,5R)-2-[3-tert-butyl-5-[6-tert-butyl-9-(4-tert-butyl-2-pyridinyl)carbazol-2-yl]oxyphenyl]-4-cyclohexyl-5-phenyl-4,5-dihydro-1,3-oxazole.

Molecular Properties

• Compound Name: (4R,5R)-2-[3-tert-butyl-5-[6-tert-butyl-9-(4-tert-butyl-2-pyridinyl)carbazol-2-yl]oxyphenyl]-4-cyclohexyl-5-phenyl-4,5-dihydro-1,3-oxazole
• PubChem CID: 170932836
• Molecular Formula: C50H57N3O2
• Molecular Weight: 732.03 g/mol
• Exact Mass: 731.45
• IUPAC Name: (4R,5R)-2-[3-tert-butyl-5-[6-tert-butyl-9-(4-tert-butyl-2-pyridinyl)carbazol-2-yl]oxyphenyl]-4-cyclohexyl-5-phenyl-4,5-dihydro-1,3-oxazole
• SMILES: CC(C)(C)c1cc(Oc2ccc3c4cc(C(C)(C)C)ccc4n(-c4cc(C(C)(C)C)ccn4)c3c2)cc(C2=N[C@H](C3CCCCC3)[C@@H](c3ccccc3)O2)c1
• InChI: InChI=1S/C50H57N3O2/c1-48(2,3)35-20-23-42-41(29-35)40-22-21-38(31-43(40)53(42)44-30-36(24-25-51-44)49(4,5)6)54-39-27-34(26-37(28-39)50(7,8)9)47-52-45(32-16-12-10-13-17-32)46(55-47)33-18-14-11-15-19-33/h11,14-15,18-32,45-46H,10,12-13,16-17H2,1-9H3/t45-,46-/m1/s1
• InChIKey: NODSWKIFNDTCLV-AWSIMMLFSA-N
• XLogP: 13.33
• TPSA: 48.64 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 55
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	732.03
LogP ≤ 5	13.33
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of (4R,5R)-2-[3-tert-butyl-5-[6-tert-butyl-9-(4-tert-butyl-2-pyridinyl)carbazol-2-yl]oxyphenyl]-4-cyclohexyl-5-phenyl-4,5-dihydro-1,3-oxazole?

The IUPAC name of (4R,5R)-2-[3-tert-butyl-5-[6-tert-butyl-9-(4-tert-butyl-2-pyridinyl)carbazol-2-yl]oxyphenyl]-4-cyclohexyl-5-phenyl-4,5-dihydro-1,3-oxazole (CID 170932836) is (4R,5R)-2-[3-tert-butyl-5-[6-tert-butyl-9-(4-tert-butyl-2-pyridinyl)carbazol-2-yl]oxyphenyl]-4-cyclohexyl-5-phenyl-4,5-dihydro-1,3-oxazole.

What is the SMILES notation for (4R,5R)-2-[3-tert-butyl-5-[6-tert-butyl-9-(4-tert-butyl-2-pyridinyl)carbazol-2-yl]oxyphenyl]-4-cyclohexyl-5-phenyl-4,5-dihydro-1,3-oxazole?

The canonical SMILES for (4R,5R)-2-[3-tert-butyl-5-[6-tert-butyl-9-(4-tert-butyl-2-pyridinyl)carbazol-2-yl]oxyphenyl]-4-cyclohexyl-5-phenyl-4,5-dihydro-1,3-oxazole is CC(C)(C)c1cc(Oc2ccc3c4cc(C(C)(C)C)ccc4n(-c4cc(C(C)(C)C)ccn4)c3c2)cc(C2=N[C@H](C3CCCCC3)[C@@H](c3ccccc3)O2)c1.

What is the InChIKey of (4R,5R)-2-[3-tert-butyl-5-[6-tert-butyl-9-(4-tert-butyl-2-pyridinyl)carbazol-2-yl]oxyphenyl]-4-cyclohexyl-5-phenyl-4,5-dihydro-1,3-oxazole?

The InChIKey is NODSWKIFNDTCLV-AWSIMMLFSA-N. The full InChI is InChI=1S/C50H57N3O2/c1-48(2,3)35-20-23-42-41(29-35)40-22-21-38(31-43(40)53(42)44-30-36(24-25-51-44)49(4,5)6)54-39-27-34(26-37(28-39)50(7,8)9)47-52-45(32-16-12-10-13-17-32)46(55-47)33-18-14-11-15-19-33/h11,14-15,18-32,45-46H,10,12-13,16-17H2,1-9H3/t45-,46-/m1/s1.

What are the key properties of (4R,5R)-2-[3-tert-butyl-5-[6-tert-butyl-9-(4-tert-butyl-2-pyridinyl)carbazol-2-yl]oxyphenyl]-4-cyclohexyl-5-phenyl-4,5-dihydro-1,3-oxazole?

(4R,5R)-2-[3-tert-butyl-5-[6-tert-butyl-9-(4-tert-butyl-2-pyridinyl)carbazol-2-yl]oxyphenyl]-4-cyclohexyl-5-phenyl-4,5-dihydro-1,3-oxazole has a molecular weight of 732.03 g/mol, XLogP of 13.33, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (4R,5R)-2-[3-tert-butyl-5-[6-tert-butyl-9-(4-tert-butyl-2-pyridinyl)carbazol-2-yl]oxyphenyl]-4-cyclohexyl-5-phenyl-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 170932836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).