(4S)-4-tert-butyl-2-[12-[(4S)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]-1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,16,16,17,17,18,18,19,19,20,20,21,21,22,22,23,23,23-tetratriacontafluorotricosan-12-yl]-4,5-dihydro-1,3-oxazole

C37H36F34N2O2 — CID 11846060

About (4S)-4-tert-butyl-2-[12-[(4S)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]-1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,16,16,17,17,18,18,19,19,20,20,21,21,22,22,23,23,23-tetratriacontafluorotricosan-12-yl]-4,5-dihydro-1,3-oxazole

(4S)-4-tert-butyl-2-[12-[(4S)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]-1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,16,16,17,17,18,18,19,19,20,20,21,21,22,22,23,23,23-tetratriacontafluorotricosan-12-yl]-4,5-dihydro-1,3-oxazole (PubChem CID 11846060) has the molecular formula C37H36F34N2O2 and a molecular weight of 1186.64 g/mol. Its IUPAC name is (4S)-4-tert-butyl-2-[12-[(4S)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]-1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,16,16,17,17,18,18,19,19,20,20,21,21,22,22,23,23,23-tetratriacontafluorotricosan-12-yl]-4,5-dihydro-1,3-oxazole.

Molecular Properties

• Compound Name: (4S)-4-tert-butyl-2-[12-[(4S)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]-1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,16,16,17,17,18,18,19,19,20,20,21,21,22,22,23,23,23-tetratriacontafluorotricosan-12-yl]-4,5-dihydro-1,3-oxazole
• PubChem CID: 11846060
• Molecular Formula: C37H36F34N2O2
• Molecular Weight: 1186.64 g/mol
• Exact Mass: 1186.22
• IUPAC Name: (4S)-4-tert-butyl-2-[12-[(4S)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]-1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,16,16,17,17,18,18,19,19,20,20,21,21,22,22,23,23,23-tetratriacontafluorotricosan-12-yl]-4,5-dihydro-1,3-oxazole
• SMILES: CC(C)(C)[C@H]1COC(C(CCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)(CCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C2=N[C@@H](C(C)(C)C)CO2)=N1
• InChI: InChI=1S/C37H36F34N2O2/c1-19(2,3)15-13-74-17(72-15)21(18-73-16(14-75-18)20(4,5)6,9-7-11-22(38,39)24(42,43)26(46,47)28(50,51)30(54,55)32(58,59)34(62,63)36(66,67)68)10-8-12-23(40,41)25(44,45)27(48,49)29(52,53)31(56,57)33(60,61)35(64,65)37(69,70)71/h15-16H,7-14H2,1-6H3/t15-,16-/m1/s1
• InChIKey: RNWIEHGZHFTNLK-HZPDHXFCSA-N
• XLogP: 16.02
• TPSA: 43.18 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 22
• Heavy Atoms: 75
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1186.64
LogP ≤ 5	16.02
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (4S)-4-tert-butyl-2-[12-[(4S)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]-1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,16,16,17,17,18,18,19,19,20,20,21,21,22,22,23,23,23-tetratriacontafluorotricosan-12-yl]-4,5-dihydro-1,3-oxazole?

The IUPAC name of (4S)-4-tert-butyl-2-[12-[(4S)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]-1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,16,16,17,17,18,18,19,19,20,20,21,21,22,22,23,23,23-tetratriacontafluorotricosan-12-yl]-4,5-dihydro-1,3-oxazole (CID 11846060) is (4S)-4-tert-butyl-2-[12-[(4S)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]-1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,16,16,17,17,18,18,19,19,20,20,21,21,22,22,23,23,23-tetratriacontafluorotricosan-12-yl]-4,5-dihydro-1,3-oxazole.

What is the SMILES notation for (4S)-4-tert-butyl-2-[12-[(4S)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]-1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,16,16,17,17,18,18,19,19,20,20,21,21,22,22,23,23,23-tetratriacontafluorotricosan-12-yl]-4,5-dihydro-1,3-oxazole?

The canonical SMILES for (4S)-4-tert-butyl-2-[12-[(4S)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]-1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,16,16,17,17,18,18,19,19,20,20,21,21,22,22,23,23,23-tetratriacontafluorotricosan-12-yl]-4,5-dihydro-1,3-oxazole is CC(C)(C)[C@H]1COC(C(CCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)(CCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C2=N[C@@H](C(C)(C)C)CO2)=N1.

What is the InChIKey of (4S)-4-tert-butyl-2-[12-[(4S)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]-1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,16,16,17,17,18,18,19,19,20,20,21,21,22,22,23,23,23-tetratriacontafluorotricosan-12-yl]-4,5-dihydro-1,3-oxazole?

The InChIKey is RNWIEHGZHFTNLK-HZPDHXFCSA-N. The full InChI is InChI=1S/C37H36F34N2O2/c1-19(2,3)15-13-74-17(72-15)21(18-73-16(14-75-18)20(4,5)6,9-7-11-22(38,39)24(42,43)26(46,47)28(50,51)30(54,55)32(58,59)34(62,63)36(66,67)68)10-8-12-23(40,41)25(44,45)27(48,49)29(52,53)31(56,57)33(60,61)35(64,65)37(69,70)71/h15-16H,7-14H2,1-6H3/t15-,16-/m1/s1.

What are the key properties of (4S)-4-tert-butyl-2-[12-[(4S)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]-1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,16,16,17,17,18,18,19,19,20,20,21,21,22,22,23,23,23-tetratriacontafluorotricosan-12-yl]-4,5-dihydro-1,3-oxazole?

(4S)-4-tert-butyl-2-[12-[(4S)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]-1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,16,16,17,17,18,18,19,19,20,20,21,21,22,22,23,23,23-tetratriacontafluorotricosan-12-yl]-4,5-dihydro-1,3-oxazole has a molecular weight of 1186.64 g/mol, XLogP of 16.02, 22 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (4S)-4-tert-butyl-2-[12-[(4S)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]-1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,16,16,17,17,18,18,19,19,20,20,21,21,22,22,23,23,23-tetratriacontafluorotricosan-12-yl]-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 11846060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).