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

C13H18N2O6 — CID 132507103

IUPACmethyl (4S)-2-[2-[(4S)-4-methoxycarbonyl-4,5-dihydro-1,3-oxazol-2-yl]propan-2-yl]-4,5-dihydro-1,3-oxazole-4-carboxylate
SMILESCOC(=O)[C@@H]1COC(C(C)(C)C2=N[C@H](C(=O)OC)CO2)=N1
InChIInChI=1S/C13H18N2O6/c1-13(2,11-14-7(5-20-11)9(16)18-3)12-15-8(6-21-12)10(17)19-4/h7-8H,5-6H2,1-4H3/t7-,8-/m0/s1
InChIKeyZUUMWOQUDINGNQ-YUMQZZPRSA-N
MW298.30 g/mol
LogP-0.05
Rot. Bonds4

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

methyl (4S)-2-[2-[(4S)-4-methoxycarbonyl-4,5-dihydro-1,3-oxazol-2-yl]propan-2-yl]-4,5-dihydro-1,3-oxazole-4-carboxylate (PubChem CID 132507103) has the molecular formula C13H18N2O6 and a molecular weight of 298.30 g/mol. Its IUPAC name is methyl (4S)-2-[2-[(4S)-4-methoxycarbonyl-4,5-dihydro-1,3-oxazol-2-yl]propan-2-yl]-4,5-dihydro-1,3-oxazole-4-carboxylate.

Molecular Properties

Compound Namemethyl (4S)-2-[2-[(4S)-4-methoxycarbonyl-4,5-dihydro-1,3-oxazol-2-yl]propan-2-yl]-4,5-dihydro-1,3-oxazole-4-carboxylate
PubChem CID132507103
Molecular FormulaC13H18N2O6
Molecular Weight298.30 g/mol
Exact Mass298.12
IUPAC Namemethyl (4S)-2-[2-[(4S)-4-methoxycarbonyl-4,5-dihydro-1,3-oxazol-2-yl]propan-2-yl]-4,5-dihydro-1,3-oxazole-4-carboxylate
SMILESCOC(=O)[C@@H]1COC(C(C)(C)C2=N[C@H](C(=O)OC)CO2)=N1
InChIInChI=1S/C13H18N2O6/c1-13(2,11-14-7(5-20-11)9(16)18-3)12-15-8(6-21-12)10(17)19-4/h7-8H,5-6H2,1-4H3/t7-,8-/m0/s1
InChIKeyZUUMWOQUDINGNQ-YUMQZZPRSA-N
XLogP-0.05
TPSA95.78 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.30
LogP ≤ 5-0.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze methyl (4S)-2-[2-[(4S)-4-methoxycarbonyl-4,5-dihydro-1,3-oxazol-2-yl]propan-2-yl]-4,5-dihydro-1,3-oxazole-4-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

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-methyl-2,5-dihydropyrazine-2-carboxylate
CID 342004
(S)-Methyl 2-isopropyl-4,5-dihydrooxazole-4-carboxylate
CID 45096525
Ethyl 3,6-diethoxy-5-propan-2-yl-2,5-dihydropyrazine-2-carboxylate
CID 13103673
methyl (5S)-2,5-dimethyl-4,5-dihydro-1,3-oxazole-4-carboxylate
CID 53727110
2-Tert-butyl-4,5-dihydro-1,3-oxazole-4-carboxylic acid
CID 53917343
Methyl 2-[1-amino-2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-4,5-dihydro-1,3-oxazole-4-carboxylate
CID 57121384
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

Frequently Asked Questions

What is the IUPAC name of methyl (4S)-2-[2-[(4S)-4-methoxycarbonyl-4,5-dihydro-1,3-oxazol-2-yl]propan-2-yl]-4,5-dihydro-1,3-oxazole-4-carboxylate?
The IUPAC name of methyl (4S)-2-[2-[(4S)-4-methoxycarbonyl-4,5-dihydro-1,3-oxazol-2-yl]propan-2-yl]-4,5-dihydro-1,3-oxazole-4-carboxylate (CID 132507103) is methyl (4S)-2-[2-[(4S)-4-methoxycarbonyl-4,5-dihydro-1,3-oxazol-2-yl]propan-2-yl]-4,5-dihydro-1,3-oxazole-4-carboxylate.
What is the SMILES notation for methyl (4S)-2-[2-[(4S)-4-methoxycarbonyl-4,5-dihydro-1,3-oxazol-2-yl]propan-2-yl]-4,5-dihydro-1,3-oxazole-4-carboxylate?
The canonical SMILES for methyl (4S)-2-[2-[(4S)-4-methoxycarbonyl-4,5-dihydro-1,3-oxazol-2-yl]propan-2-yl]-4,5-dihydro-1,3-oxazole-4-carboxylate is COC(=O)[C@@H]1COC(C(C)(C)C2=N[C@H](C(=O)OC)CO2)=N1.
What is the InChIKey of methyl (4S)-2-[2-[(4S)-4-methoxycarbonyl-4,5-dihydro-1,3-oxazol-2-yl]propan-2-yl]-4,5-dihydro-1,3-oxazole-4-carboxylate?
The InChIKey is ZUUMWOQUDINGNQ-YUMQZZPRSA-N. The full InChI is InChI=1S/C13H18N2O6/c1-13(2,11-14-7(5-20-11)9(16)18-3)12-15-8(6-21-12)10(17)19-4/h7-8H,5-6H2,1-4H3/t7-,8-/m0/s1.
What are the key properties of methyl (4S)-2-[2-[(4S)-4-methoxycarbonyl-4,5-dihydro-1,3-oxazol-2-yl]propan-2-yl]-4,5-dihydro-1,3-oxazole-4-carboxylate?
methyl (4S)-2-[2-[(4S)-4-methoxycarbonyl-4,5-dihydro-1,3-oxazol-2-yl]propan-2-yl]-4,5-dihydro-1,3-oxazole-4-carboxylate has a molecular weight of 298.30 g/mol, XLogP of -0.05, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (4S)-2-[2-[(4S)-4-methoxycarbonyl-4,5-dihydro-1,3-oxazol-2-yl]propan-2-yl]-4,5-dihydro-1,3-oxazole-4-carboxylate is sourced from PubChem (CID 132507103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).