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

C24H38N2O6 — CID 90449378

IUPAChexan-2-yl (4R)-2-[1-[(4R)-4-hexan-2-yloxycarbonyl-4,5-dihydro-1,3-oxazol-2-yl]cyclobutyl]-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)CCC2)=N1
InChIInChI=1S/C24H38N2O6/c1-5-7-10-16(3)31-20(27)18-14-29-22(25-18)24(12-9-13-24)23-26-19(15-30-23)21(28)32-17(4)11-8-6-2/h16-19H,5-15H2,1-4H3/t16?,17?,18-,19-/m1/s1
InChIKeyNRDIDEDNUYEGKS-CSODTCANSA-N
MW450.58 g/mol
LogP4.00
Rot. Bonds12

About hexan-2-yl (4R)-2-[1-[(4R)-4-hexan-2-yloxycarbonyl-4,5-dihydro-1,3-oxazol-2-yl]cyclobutyl]-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]cyclobutyl]-4,5-dihydro-1,3-oxazole-4-carboxylate (PubChem CID 90449378) has the molecular formula C24H38N2O6 and a molecular weight of 450.58 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]cyclobutyl]-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]cyclobutyl]-4,5-dihydro-1,3-oxazole-4-carboxylate
PubChem CID90449378
Molecular FormulaC24H38N2O6
Molecular Weight450.58 g/mol
Exact Mass450.27
IUPAC Namehexan-2-yl (4R)-2-[1-[(4R)-4-hexan-2-yloxycarbonyl-4,5-dihydro-1,3-oxazol-2-yl]cyclobutyl]-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)CCC2)=N1
InChIInChI=1S/C24H38N2O6/c1-5-7-10-16(3)31-20(27)18-14-29-22(25-18)24(12-9-13-24)23-26-19(15-30-23)21(28)32-17(4)11-8-6-2/h16-19H,5-15H2,1-4H3/t16?,17?,18-,19-/m1/s1
InChIKeyNRDIDEDNUYEGKS-CSODTCANSA-N
XLogP4.00
TPSA95.78 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds12
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.58
LogP ≤ 54.00
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]cyclobutyl]-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]cyclobutyl]-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]cyclobutyl]-4,5-dihydro-1,3-oxazole-4-carboxylate (CID 90449378) is hexan-2-yl (4R)-2-[1-[(4R)-4-hexan-2-yloxycarbonyl-4,5-dihydro-1,3-oxazol-2-yl]cyclobutyl]-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]cyclobutyl]-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]cyclobutyl]-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)CCC2)=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]cyclobutyl]-4,5-dihydro-1,3-oxazole-4-carboxylate?
The InChIKey is NRDIDEDNUYEGKS-CSODTCANSA-N. The full InChI is InChI=1S/C24H38N2O6/c1-5-7-10-16(3)31-20(27)18-14-29-22(25-18)24(12-9-13-24)23-26-19(15-30-23)21(28)32-17(4)11-8-6-2/h16-19H,5-15H2,1-4H3/t16?,17?,18-,19-/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]cyclobutyl]-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]cyclobutyl]-4,5-dihydro-1,3-oxazole-4-carboxylate has a molecular weight of 450.58 g/mol, XLogP of 4.00, 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]cyclobutyl]-4,5-dihydro-1,3-oxazole-4-carboxylate is sourced from PubChem (CID 90449378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).