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

C13H16N2O6 — CID 154725405

IUPACmethyl (4S)-2-[1-[(4S)-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-/m0/s1
InChIKeyARKRBCZGWTVGAV-YUMQZZPRSA-N
MW296.28 g/mol
LogP-0.29
Rot. Bonds4

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

methyl (4S)-2-[1-[(4S)-4-methoxycarbonyl-4,5-dihydro-1,3-oxazol-2-yl]cyclopropyl]-4,5-dihydro-1,3-oxazole-4-carboxylate (PubChem CID 154725405) has the molecular formula C13H16N2O6 and a molecular weight of 296.28 g/mol. Its IUPAC name is methyl (4S)-2-[1-[(4S)-4-methoxycarbonyl-4,5-dihydro-1,3-oxazol-2-yl]cyclopropyl]-4,5-dihydro-1,3-oxazole-4-carboxylate.

Molecular Properties

Compound Namemethyl (4S)-2-[1-[(4S)-4-methoxycarbonyl-4,5-dihydro-1,3-oxazol-2-yl]cyclopropyl]-4,5-dihydro-1,3-oxazole-4-carboxylate
PubChem CID154725405
Molecular FormulaC13H16N2O6
Molecular Weight296.28 g/mol
Exact Mass296.10
IUPAC Namemethyl (4S)-2-[1-[(4S)-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-/m0/s1
InChIKeyARKRBCZGWTVGAV-YUMQZZPRSA-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 (4S)-2-[1-[(4S)-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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Launch Full Analysis

Related Compounds

ethyl (5R)-3,6-diethoxy-5-propan-2-yl-2,5-dihydropyrazine-2-carboxylate
CID 10924088
(4S,4'S)-Di-tert-butyl 2,2'-(cyclopropane-1,1-diyl)bis(4,5-dihydrooxazole-4-carboxylate)
CID 146001408
(4S,4'S)-Diisopropyl 2,2'-(cyclopropane-1,1-diyl)bis(4,5-dihydrooxazole-4-carboxylate)
CID 146001417
Diisopropyl 2,2'-(cyclopropane-1,1-diyl)(4R,4'R)-bis(4,5-dihydrooxazole-4-carboxylate)
CID 154725665
tert-butyl (4S)-2-[1-[(4S)-4-acetyl-4,5-dihydro-1,3-oxazol-2-yl]cyclopropyl]-4,5-dihydro-1,3-oxazole-4-carboxylate
CID 155930861
Ethyl 3,6-diethoxy-5-propan-2-yl-2,5-dihydropyrazine-2-carboxylate
CID 13103673
2-[1-(4,4-Dimethyl-5-oxo-1,3-oxazol-2-yl)cyclopropyl]-4,4-dimethyl-1,3-oxazol-5-one
CID 54568951
methyl (4S,5R)-2-[2-[(4S,5R)-4-methoxycarbonyl-5-methyl-4,5-dihydro-1,3-oxazol-2-yl]propan-2-yl]-5-methyl-4,5-dihydro-1,3-oxazole-4-carboxylate
CID 57615057
Methyl 2-cyclopropyl-4,5-dihydrooxazole-4-carboxylate
CID 67452133
ethyl (5R)-3,6-dimethoxy-5-propan-2-yl-2,5-dihydropyrazine-2-carboxylate
CID 69167302
Ethyl 3,6-dimethoxy-5-propan-2-yl-2,5-dihydropyrazine-2-carboxylate
CID 69167303
methyl (4S,5R)-5-methyl-2-[2-[(4R,5R)-5-methyl-4-(methylperoxymethyl)-4,5-dihydro-1,3-oxazol-2-yl]propan-2-yl]-4,5-dihydro-1,3-oxazole-4-carboxylate
CID 87430389

Frequently Asked Questions

What is the IUPAC name of methyl (4S)-2-[1-[(4S)-4-methoxycarbonyl-4,5-dihydro-1,3-oxazol-2-yl]cyclopropyl]-4,5-dihydro-1,3-oxazole-4-carboxylate?
The IUPAC name of methyl (4S)-2-[1-[(4S)-4-methoxycarbonyl-4,5-dihydro-1,3-oxazol-2-yl]cyclopropyl]-4,5-dihydro-1,3-oxazole-4-carboxylate (CID 154725405) is methyl (4S)-2-[1-[(4S)-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 (4S)-2-[1-[(4S)-4-methoxycarbonyl-4,5-dihydro-1,3-oxazol-2-yl]cyclopropyl]-4,5-dihydro-1,3-oxazole-4-carboxylate?
The canonical SMILES for methyl (4S)-2-[1-[(4S)-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 (4S)-2-[1-[(4S)-4-methoxycarbonyl-4,5-dihydro-1,3-oxazol-2-yl]cyclopropyl]-4,5-dihydro-1,3-oxazole-4-carboxylate?
The InChIKey is ARKRBCZGWTVGAV-YUMQZZPRSA-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-/m0/s1.
What are the key properties of methyl (4S)-2-[1-[(4S)-4-methoxycarbonyl-4,5-dihydro-1,3-oxazol-2-yl]cyclopropyl]-4,5-dihydro-1,3-oxazole-4-carboxylate?
methyl (4S)-2-[1-[(4S)-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 (4S)-2-[1-[(4S)-4-methoxycarbonyl-4,5-dihydro-1,3-oxazol-2-yl]cyclopropyl]-4,5-dihydro-1,3-oxazole-4-carboxylate is sourced from PubChem (CID 154725405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).