hexan-2-yl (4R)-2-[1-[(4R)-4-hexan-2-yloxycarbonyl-4,5-dihydro-1,3-oxazol-2-yl]cyclopropyl]-4,5-dihydro-1,3-oxazole-4-carboxylate

C23H36N2O6 — CID 90449509

IUPAChexan-2-yl (4R)-2-[1-[(4R)-4-hexan-2-yloxycarbonyl-4,5-dihydro-1,3-oxazol-2-yl]cyclopropyl]-4,5-dihydro-1,3-oxazole-4-carboxylate
SMILESCCCCC(C)OC(=O)[C@H]1COC(C2(C3=N[C@@H](C(=O)OC(C)CCCC)CO3)CC2)=N1
InChIInChI=1S/C23H36N2O6/c1-5-7-9-15(3)30-19(26)17-13-28-21(24-17)23(11-12-23)22-25-18(14-29-22)20(27)31-16(4)10-8-6-2/h15-18H,5-14H2,1-4H3/t15?,16?,17-,18-/m1/s1
InChIKeyHIXXLQWYNGGPCB-OPQOLIRYSA-N
MW436.55 g/mol
LogP3.61
Rot. Bonds12

About hexan-2-yl (4R)-2-[1-[(4R)-4-hexan-2-yloxycarbonyl-4,5-dihydro-1,3-oxazol-2-yl]cyclopropyl]-4,5-dihydro-1,3-oxazole-4-carboxylate

hexan-2-yl (4R)-2-[1-[(4R)-4-hexan-2-yloxycarbonyl-4,5-dihydro-1,3-oxazol-2-yl]cyclopropyl]-4,5-dihydro-1,3-oxazole-4-carboxylate (PubChem CID 90449509) has the molecular formula C23H36N2O6 and a molecular weight of 436.55 g/mol. Its IUPAC name is hexan-2-yl (4R)-2-[1-[(4R)-4-hexan-2-yloxycarbonyl-4,5-dihydro-1,3-oxazol-2-yl]cyclopropyl]-4,5-dihydro-1,3-oxazole-4-carboxylate.

Molecular Properties

Compound Namehexan-2-yl (4R)-2-[1-[(4R)-4-hexan-2-yloxycarbonyl-4,5-dihydro-1,3-oxazol-2-yl]cyclopropyl]-4,5-dihydro-1,3-oxazole-4-carboxylate
PubChem CID90449509
Molecular FormulaC23H36N2O6
Molecular Weight436.55 g/mol
Exact Mass436.26
IUPAC Namehexan-2-yl (4R)-2-[1-[(4R)-4-hexan-2-yloxycarbonyl-4,5-dihydro-1,3-oxazol-2-yl]cyclopropyl]-4,5-dihydro-1,3-oxazole-4-carboxylate
SMILESCCCCC(C)OC(=O)[C@H]1COC(C2(C3=N[C@@H](C(=O)OC(C)CCCC)CO3)CC2)=N1
InChIInChI=1S/C23H36N2O6/c1-5-7-9-15(3)30-19(26)17-13-28-21(24-17)23(11-12-23)22-25-18(14-29-22)20(27)31-16(4)10-8-6-2/h15-18H,5-14H2,1-4H3/t15?,16?,17-,18-/m1/s1
InChIKeyHIXXLQWYNGGPCB-OPQOLIRYSA-N
XLogP3.61
TPSA95.78 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds12
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.55
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze hexan-2-yl (4R)-2-[1-[(4R)-4-hexan-2-yloxycarbonyl-4,5-dihydro-1,3-oxazol-2-yl]cyclopropyl]-4,5-dihydro-1,3-oxazole-4-carboxylate with MolForge

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Frequently Asked Questions

What is the IUPAC name of hexan-2-yl (4R)-2-[1-[(4R)-4-hexan-2-yloxycarbonyl-4,5-dihydro-1,3-oxazol-2-yl]cyclopropyl]-4,5-dihydro-1,3-oxazole-4-carboxylate?
The IUPAC name of hexan-2-yl (4R)-2-[1-[(4R)-4-hexan-2-yloxycarbonyl-4,5-dihydro-1,3-oxazol-2-yl]cyclopropyl]-4,5-dihydro-1,3-oxazole-4-carboxylate (CID 90449509) is hexan-2-yl (4R)-2-[1-[(4R)-4-hexan-2-yloxycarbonyl-4,5-dihydro-1,3-oxazol-2-yl]cyclopropyl]-4,5-dihydro-1,3-oxazole-4-carboxylate.
What is the SMILES notation for hexan-2-yl (4R)-2-[1-[(4R)-4-hexan-2-yloxycarbonyl-4,5-dihydro-1,3-oxazol-2-yl]cyclopropyl]-4,5-dihydro-1,3-oxazole-4-carboxylate?
The canonical SMILES for hexan-2-yl (4R)-2-[1-[(4R)-4-hexan-2-yloxycarbonyl-4,5-dihydro-1,3-oxazol-2-yl]cyclopropyl]-4,5-dihydro-1,3-oxazole-4-carboxylate is CCCCC(C)OC(=O)[C@H]1COC(C2(C3=N[C@@H](C(=O)OC(C)CCCC)CO3)CC2)=N1.
What is the InChIKey of hexan-2-yl (4R)-2-[1-[(4R)-4-hexan-2-yloxycarbonyl-4,5-dihydro-1,3-oxazol-2-yl]cyclopropyl]-4,5-dihydro-1,3-oxazole-4-carboxylate?
The InChIKey is HIXXLQWYNGGPCB-OPQOLIRYSA-N. The full InChI is InChI=1S/C23H36N2O6/c1-5-7-9-15(3)30-19(26)17-13-28-21(24-17)23(11-12-23)22-25-18(14-29-22)20(27)31-16(4)10-8-6-2/h15-18H,5-14H2,1-4H3/t15?,16?,17-,18-/m1/s1.
What are the key properties of hexan-2-yl (4R)-2-[1-[(4R)-4-hexan-2-yloxycarbonyl-4,5-dihydro-1,3-oxazol-2-yl]cyclopropyl]-4,5-dihydro-1,3-oxazole-4-carboxylate?
hexan-2-yl (4R)-2-[1-[(4R)-4-hexan-2-yloxycarbonyl-4,5-dihydro-1,3-oxazol-2-yl]cyclopropyl]-4,5-dihydro-1,3-oxazole-4-carboxylate has a molecular weight of 436.55 g/mol, XLogP of 3.61, 12 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for hexan-2-yl (4R)-2-[1-[(4R)-4-hexan-2-yloxycarbonyl-4,5-dihydro-1,3-oxazol-2-yl]cyclopropyl]-4,5-dihydro-1,3-oxazole-4-carboxylate is sourced from PubChem (CID 90449509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).