propan-2-yl [(4R,5R)-2-[4-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]-5-propan-2-yloxycarbonyloxy-1,3-dioxolan-4-yl] carbonate

C23H31NO9 — CID 67692111

IUPACpropan-2-yl [(4R,5R)-2-[4-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]-5-propan-2-yloxycarbonyloxy-1,3-dioxolan-4-yl] carbonate
SMILESCC(C)OC(=O)O[C@H]1OC(c2ccc(C3=N[C@@H](C(C)C)CO3)cc2)O[C@@H]1OC(=O)OC(C)C
InChIInChI=1S/C23H31NO9/c1-12(2)17-11-27-18(24-17)15-7-9-16(10-8-15)19-30-20(32-22(25)28-13(3)4)21(31-19)33-23(26)29-14(5)6/h7-10,12-14,17,19-21H,11H2,1-6H3/t17-,20-,21-/m1/s1
InChIKeyIXQCXXFPDRJFPU-DUXKGJEZSA-N
MW465.50 g/mol
LogP4.31
Rot. Bonds7

About propan-2-yl [(4R,5R)-2-[4-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]-5-propan-2-yloxycarbonyloxy-1,3-dioxolan-4-yl] carbonate

propan-2-yl [(4R,5R)-2-[4-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]-5-propan-2-yloxycarbonyloxy-1,3-dioxolan-4-yl] carbonate (PubChem CID 67692111) has the molecular formula C23H31NO9 and a molecular weight of 465.50 g/mol. Its IUPAC name is propan-2-yl [(4R,5R)-2-[4-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]-5-propan-2-yloxycarbonyloxy-1,3-dioxolan-4-yl] carbonate.

Molecular Properties

Compound Namepropan-2-yl [(4R,5R)-2-[4-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]-5-propan-2-yloxycarbonyloxy-1,3-dioxolan-4-yl] carbonate
PubChem CID67692111
Molecular FormulaC23H31NO9
Molecular Weight465.50 g/mol
Exact Mass465.20
IUPAC Namepropan-2-yl [(4R,5R)-2-[4-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]-5-propan-2-yloxycarbonyloxy-1,3-dioxolan-4-yl] carbonate
SMILESCC(C)OC(=O)O[C@H]1OC(c2ccc(C3=N[C@@H](C(C)C)CO3)cc2)O[C@@H]1OC(=O)OC(C)C
InChIInChI=1S/C23H31NO9/c1-12(2)17-11-27-18(24-17)15-7-9-16(10-8-15)19-30-20(32-22(25)28-13(3)4)21(31-19)33-23(26)29-14(5)6/h7-10,12-14,17,19-21H,11H2,1-6H3/t17-,20-,21-/m1/s1
InChIKeyIXQCXXFPDRJFPU-DUXKGJEZSA-N
XLogP4.31
TPSA111.11 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.50
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze propan-2-yl [(4R,5R)-2-[4-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]-5-propan-2-yloxycarbonyloxy-1,3-dioxolan-4-yl] carbonate with MolForge

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Frequently Asked Questions

What is the IUPAC name of propan-2-yl [(4R,5R)-2-[4-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]-5-propan-2-yloxycarbonyloxy-1,3-dioxolan-4-yl] carbonate?
The IUPAC name of propan-2-yl [(4R,5R)-2-[4-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]-5-propan-2-yloxycarbonyloxy-1,3-dioxolan-4-yl] carbonate (CID 67692111) is propan-2-yl [(4R,5R)-2-[4-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]-5-propan-2-yloxycarbonyloxy-1,3-dioxolan-4-yl] carbonate.
What is the SMILES notation for propan-2-yl [(4R,5R)-2-[4-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]-5-propan-2-yloxycarbonyloxy-1,3-dioxolan-4-yl] carbonate?
The canonical SMILES for propan-2-yl [(4R,5R)-2-[4-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]-5-propan-2-yloxycarbonyloxy-1,3-dioxolan-4-yl] carbonate is CC(C)OC(=O)O[C@H]1OC(c2ccc(C3=N[C@@H](C(C)C)CO3)cc2)O[C@@H]1OC(=O)OC(C)C.
What is the InChIKey of propan-2-yl [(4R,5R)-2-[4-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]-5-propan-2-yloxycarbonyloxy-1,3-dioxolan-4-yl] carbonate?
The InChIKey is IXQCXXFPDRJFPU-DUXKGJEZSA-N. The full InChI is InChI=1S/C23H31NO9/c1-12(2)17-11-27-18(24-17)15-7-9-16(10-8-15)19-30-20(32-22(25)28-13(3)4)21(31-19)33-23(26)29-14(5)6/h7-10,12-14,17,19-21H,11H2,1-6H3/t17-,20-,21-/m1/s1.
What are the key properties of propan-2-yl [(4R,5R)-2-[4-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]-5-propan-2-yloxycarbonyloxy-1,3-dioxolan-4-yl] carbonate?
propan-2-yl [(4R,5R)-2-[4-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]-5-propan-2-yloxycarbonyloxy-1,3-dioxolan-4-yl] carbonate has a molecular weight of 465.50 g/mol, XLogP of 4.31, 7 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl [(4R,5R)-2-[4-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]-5-propan-2-yloxycarbonyloxy-1,3-dioxolan-4-yl] carbonate is sourced from PubChem (CID 67692111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).