tert-butyl (4S)-2-[1-[(4S)-4-[(2-methylpropan-2-yl)oxycarbonyl]-4,5-dihydro-1,3-oxazol-2-yl]cyclopropyl]-4,5-dihydro-1,3-oxazole-4-carboxylate

C19H28N2O6 — CID 146001408

IUPACtert-butyl (4S)-2-[1-[(4S)-4-[(2-methylpropan-2-yl)oxycarbonyl]-4,5-dihydro-1,3-oxazol-2-yl]cyclopropyl]-4,5-dihydro-1,3-oxazole-4-carboxylate
SMILESCC(C)(C)OC(=O)[C@@H]1COC(C2(C3=N[C@H](C(=O)OC(C)(C)C)CO3)CC2)=N1
InChIInChI=1S/C19H28N2O6/c1-17(2,3)26-13(22)11-9-24-15(20-11)19(7-8-19)16-21-12(10-25-16)14(23)27-18(4,5)6/h11-12H,7-10H2,1-6H3/t11-,12-/m0/s1
InChIKeyLKXTWWHADOFMCC-RYUDHWBXSA-N
MW380.44 g/mol
LogP2.04
Rot. Bonds4

About tert-butyl (4S)-2-[1-[(4S)-4-[(2-methylpropan-2-yl)oxycarbonyl]-4,5-dihydro-1,3-oxazol-2-yl]cyclopropyl]-4,5-dihydro-1,3-oxazole-4-carboxylate

tert-butyl (4S)-2-[1-[(4S)-4-[(2-methylpropan-2-yl)oxycarbonyl]-4,5-dihydro-1,3-oxazol-2-yl]cyclopropyl]-4,5-dihydro-1,3-oxazole-4-carboxylate (PubChem CID 146001408) has the molecular formula C19H28N2O6 and a molecular weight of 380.44 g/mol. Its IUPAC name is tert-butyl (4S)-2-[1-[(4S)-4-[(2-methylpropan-2-yl)oxycarbonyl]-4,5-dihydro-1,3-oxazol-2-yl]cyclopropyl]-4,5-dihydro-1,3-oxazole-4-carboxylate.

Molecular Properties

Compound Nametert-butyl (4S)-2-[1-[(4S)-4-[(2-methylpropan-2-yl)oxycarbonyl]-4,5-dihydro-1,3-oxazol-2-yl]cyclopropyl]-4,5-dihydro-1,3-oxazole-4-carboxylate
PubChem CID146001408
Molecular FormulaC19H28N2O6
Molecular Weight380.44 g/mol
Exact Mass380.19
IUPAC Nametert-butyl (4S)-2-[1-[(4S)-4-[(2-methylpropan-2-yl)oxycarbonyl]-4,5-dihydro-1,3-oxazol-2-yl]cyclopropyl]-4,5-dihydro-1,3-oxazole-4-carboxylate
SMILESCC(C)(C)OC(=O)[C@@H]1COC(C2(C3=N[C@H](C(=O)OC(C)(C)C)CO3)CC2)=N1
InChIInChI=1S/C19H28N2O6/c1-17(2,3)26-13(22)11-9-24-15(20-11)19(7-8-19)16-21-12(10-25-16)14(23)27-18(4,5)6/h11-12H,7-10H2,1-6H3/t11-,12-/m0/s1
InChIKeyLKXTWWHADOFMCC-RYUDHWBXSA-N
XLogP2.04
TPSA95.78 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.44
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze tert-butyl (4S)-2-[1-[(4S)-4-[(2-methylpropan-2-yl)oxycarbonyl]-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 tert-butyl (4S)-2-[1-[(4S)-4-[(2-methylpropan-2-yl)oxycarbonyl]-4,5-dihydro-1,3-oxazol-2-yl]cyclopropyl]-4,5-dihydro-1,3-oxazole-4-carboxylate?
The IUPAC name of tert-butyl (4S)-2-[1-[(4S)-4-[(2-methylpropan-2-yl)oxycarbonyl]-4,5-dihydro-1,3-oxazol-2-yl]cyclopropyl]-4,5-dihydro-1,3-oxazole-4-carboxylate (CID 146001408) is tert-butyl (4S)-2-[1-[(4S)-4-[(2-methylpropan-2-yl)oxycarbonyl]-4,5-dihydro-1,3-oxazol-2-yl]cyclopropyl]-4,5-dihydro-1,3-oxazole-4-carboxylate.
What is the SMILES notation for tert-butyl (4S)-2-[1-[(4S)-4-[(2-methylpropan-2-yl)oxycarbonyl]-4,5-dihydro-1,3-oxazol-2-yl]cyclopropyl]-4,5-dihydro-1,3-oxazole-4-carboxylate?
The canonical SMILES for tert-butyl (4S)-2-[1-[(4S)-4-[(2-methylpropan-2-yl)oxycarbonyl]-4,5-dihydro-1,3-oxazol-2-yl]cyclopropyl]-4,5-dihydro-1,3-oxazole-4-carboxylate is CC(C)(C)OC(=O)[C@@H]1COC(C2(C3=N[C@H](C(=O)OC(C)(C)C)CO3)CC2)=N1.
What is the InChIKey of tert-butyl (4S)-2-[1-[(4S)-4-[(2-methylpropan-2-yl)oxycarbonyl]-4,5-dihydro-1,3-oxazol-2-yl]cyclopropyl]-4,5-dihydro-1,3-oxazole-4-carboxylate?
The InChIKey is LKXTWWHADOFMCC-RYUDHWBXSA-N. The full InChI is InChI=1S/C19H28N2O6/c1-17(2,3)26-13(22)11-9-24-15(20-11)19(7-8-19)16-21-12(10-25-16)14(23)27-18(4,5)6/h11-12H,7-10H2,1-6H3/t11-,12-/m0/s1.
What are the key properties of tert-butyl (4S)-2-[1-[(4S)-4-[(2-methylpropan-2-yl)oxycarbonyl]-4,5-dihydro-1,3-oxazol-2-yl]cyclopropyl]-4,5-dihydro-1,3-oxazole-4-carboxylate?
tert-butyl (4S)-2-[1-[(4S)-4-[(2-methylpropan-2-yl)oxycarbonyl]-4,5-dihydro-1,3-oxazol-2-yl]cyclopropyl]-4,5-dihydro-1,3-oxazole-4-carboxylate has a molecular weight of 380.44 g/mol, XLogP of 2.04, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (4S)-2-[1-[(4S)-4-[(2-methylpropan-2-yl)oxycarbonyl]-4,5-dihydro-1,3-oxazol-2-yl]cyclopropyl]-4,5-dihydro-1,3-oxazole-4-carboxylate is sourced from PubChem (CID 146001408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).