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

C13H16N2O6 — CID 154725991

IUPACmethyl (4R)-2-[1-[(4R)-4-methoxycarbonyl-4,5-dihydro-1,3-oxazol-2-yl]cyclopropyl]-4,5-dihydro-1,3-oxazole-4-carboxylate
SMILESCOC(=O)[C@H]1COC(C2(C3=N[C@@H](C(=O)OC)CO3)CC2)=N1
InChIInChI=1S/C13H16N2O6/c1-18-9(16)7-5-20-11(14-7)13(3-4-13)12-15-8(6-21-12)10(17)19-2/h7-8H,3-6H2,1-2H3/t7-,8-/m1/s1
InChIKeyARKRBCZGWTVGAV-HTQZYQBOSA-N
MW296.28 g/mol
LogP-0.29
Rot. Bonds4

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

methyl (4R)-2-[1-[(4R)-4-methoxycarbonyl-4,5-dihydro-1,3-oxazol-2-yl]cyclopropyl]-4,5-dihydro-1,3-oxazole-4-carboxylate (PubChem CID 154725991) has the molecular formula C13H16N2O6 and a molecular weight of 296.28 g/mol. Its IUPAC name is methyl (4R)-2-[1-[(4R)-4-methoxycarbonyl-4,5-dihydro-1,3-oxazol-2-yl]cyclopropyl]-4,5-dihydro-1,3-oxazole-4-carboxylate.

Molecular Properties

Compound Namemethyl (4R)-2-[1-[(4R)-4-methoxycarbonyl-4,5-dihydro-1,3-oxazol-2-yl]cyclopropyl]-4,5-dihydro-1,3-oxazole-4-carboxylate
PubChem CID154725991
Molecular FormulaC13H16N2O6
Molecular Weight296.28 g/mol
Exact Mass296.10
IUPAC Namemethyl (4R)-2-[1-[(4R)-4-methoxycarbonyl-4,5-dihydro-1,3-oxazol-2-yl]cyclopropyl]-4,5-dihydro-1,3-oxazole-4-carboxylate
SMILESCOC(=O)[C@H]1COC(C2(C3=N[C@@H](C(=O)OC)CO3)CC2)=N1
InChIInChI=1S/C13H16N2O6/c1-18-9(16)7-5-20-11(14-7)13(3-4-13)12-15-8(6-21-12)10(17)19-2/h7-8H,3-6H2,1-2H3/t7-,8-/m1/s1
InChIKeyARKRBCZGWTVGAV-HTQZYQBOSA-N
XLogP-0.29
TPSA95.78 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.28
LogP ≤ 5-0.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze methyl (4R)-2-[1-[(4R)-4-methoxycarbonyl-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 methyl (4R)-2-[1-[(4R)-4-methoxycarbonyl-4,5-dihydro-1,3-oxazol-2-yl]cyclopropyl]-4,5-dihydro-1,3-oxazole-4-carboxylate?
The IUPAC name of methyl (4R)-2-[1-[(4R)-4-methoxycarbonyl-4,5-dihydro-1,3-oxazol-2-yl]cyclopropyl]-4,5-dihydro-1,3-oxazole-4-carboxylate (CID 154725991) is methyl (4R)-2-[1-[(4R)-4-methoxycarbonyl-4,5-dihydro-1,3-oxazol-2-yl]cyclopropyl]-4,5-dihydro-1,3-oxazole-4-carboxylate.
What is the SMILES notation for methyl (4R)-2-[1-[(4R)-4-methoxycarbonyl-4,5-dihydro-1,3-oxazol-2-yl]cyclopropyl]-4,5-dihydro-1,3-oxazole-4-carboxylate?
The canonical SMILES for methyl (4R)-2-[1-[(4R)-4-methoxycarbonyl-4,5-dihydro-1,3-oxazol-2-yl]cyclopropyl]-4,5-dihydro-1,3-oxazole-4-carboxylate is COC(=O)[C@H]1COC(C2(C3=N[C@@H](C(=O)OC)CO3)CC2)=N1.
What is the InChIKey of methyl (4R)-2-[1-[(4R)-4-methoxycarbonyl-4,5-dihydro-1,3-oxazol-2-yl]cyclopropyl]-4,5-dihydro-1,3-oxazole-4-carboxylate?
The InChIKey is ARKRBCZGWTVGAV-HTQZYQBOSA-N. The full InChI is InChI=1S/C13H16N2O6/c1-18-9(16)7-5-20-11(14-7)13(3-4-13)12-15-8(6-21-12)10(17)19-2/h7-8H,3-6H2,1-2H3/t7-,8-/m1/s1.
What are the key properties of methyl (4R)-2-[1-[(4R)-4-methoxycarbonyl-4,5-dihydro-1,3-oxazol-2-yl]cyclopropyl]-4,5-dihydro-1,3-oxazole-4-carboxylate?
methyl (4R)-2-[1-[(4R)-4-methoxycarbonyl-4,5-dihydro-1,3-oxazol-2-yl]cyclopropyl]-4,5-dihydro-1,3-oxazole-4-carboxylate has a molecular weight of 296.28 g/mol, XLogP of -0.29, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (4R)-2-[1-[(4R)-4-methoxycarbonyl-4,5-dihydro-1,3-oxazol-2-yl]cyclopropyl]-4,5-dihydro-1,3-oxazole-4-carboxylate is sourced from PubChem (CID 154725991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).