methyl 2-(2-ethyl-5-methyl-4,5-dihydro-1,3-oxazol-4-yl)-5-methyl-4,5-dihydro-1,3-oxazole-4-carboxylate

C12H18N2O4 — CID 71079143

IUPACmethyl 2-(2-ethyl-5-methyl-4,5-dihydro-1,3-oxazol-4-yl)-5-methyl-4,5-dihydro-1,3-oxazole-4-carboxylate
SMILESCCC1=NC(C2=NC(C(=O)OC)C(C)O2)C(C)O1
InChIInChI=1S/C12H18N2O4/c1-5-8-13-9(6(2)17-8)11-14-10(7(3)18-11)12(15)16-4/h6-7,9-10H,5H2,1-4H3
InChIKeyWNMQCKNQLSKVCN-UHFFFAOYSA-N
MW254.29 g/mol
LogP0.94
Rot. Bonds3

About methyl 2-(2-ethyl-5-methyl-4,5-dihydro-1,3-oxazol-4-yl)-5-methyl-4,5-dihydro-1,3-oxazole-4-carboxylate

methyl 2-(2-ethyl-5-methyl-4,5-dihydro-1,3-oxazol-4-yl)-5-methyl-4,5-dihydro-1,3-oxazole-4-carboxylate (PubChem CID 71079143) has the molecular formula C12H18N2O4 and a molecular weight of 254.29 g/mol. Its IUPAC name is methyl 2-(2-ethyl-5-methyl-4,5-dihydro-1,3-oxazol-4-yl)-5-methyl-4,5-dihydro-1,3-oxazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 2-(2-ethyl-5-methyl-4,5-dihydro-1,3-oxazol-4-yl)-5-methyl-4,5-dihydro-1,3-oxazole-4-carboxylate
PubChem CID71079143
Molecular FormulaC12H18N2O4
Molecular Weight254.29 g/mol
Exact Mass254.13
IUPAC Namemethyl 2-(2-ethyl-5-methyl-4,5-dihydro-1,3-oxazol-4-yl)-5-methyl-4,5-dihydro-1,3-oxazole-4-carboxylate
SMILESCCC1=NC(C2=NC(C(=O)OC)C(C)O2)C(C)O1
InChIInChI=1S/C12H18N2O4/c1-5-8-13-9(6(2)17-8)11-14-10(7(3)18-11)12(15)16-4/h6-7,9-10H,5H2,1-4H3
InChIKeyWNMQCKNQLSKVCN-UHFFFAOYSA-N
XLogP0.94
TPSA69.48 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 50.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze methyl 2-(2-ethyl-5-methyl-4,5-dihydro-1,3-oxazol-4-yl)-5-methyl-4,5-dihydro-1,3-oxazole-4-carboxylate with MolForge

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Related Compounds

Methyl 2,5-dimethyl-4,5-dihydro-1,3-oxazole-4-carboxylate
CID 20588522
Ethyl 2,5-dimethyl-4,5-dihydro-1,3-oxazole-4-carboxylate
CID 44720605
Methyl 2-propyl-4,5-dihydro-1,3-oxazole-4-carboxylate
CID 75480505
(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
Ethyl 3,6-diethoxy-5-methyl-2,5-dihydropyrazine-2-carboxylate
CID 342004
methyl (4S)-2-propyl-4,5-dihydro-1,3-oxazole-4-carboxylate
CID 97184619
methyl (5S)-2,5-dimethyl-4,5-dihydro-1,3-oxazole-4-carboxylate
CID 53727110
methyl (5S)-2,5-dimethyl-4,5-dihydro-1,3-oxazole-4-carboxylate
CID 53727111
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
ethyl (4R)-2-[[(4S)-4-ethoxycarbonyl-4,5-dihydro-1,3-oxazol-2-yl]methoxymethyl]-4,5-dihydro-1,3-oxazole-4-carboxylate
CID 59919132
2-tert-Butyl-5-methyl-4,5-dihydro-oxazole-4-carboxylic acid methyl ester
CID 68157016

Frequently Asked Questions

What is the IUPAC name of methyl 2-(2-ethyl-5-methyl-4,5-dihydro-1,3-oxazol-4-yl)-5-methyl-4,5-dihydro-1,3-oxazole-4-carboxylate?
The IUPAC name of methyl 2-(2-ethyl-5-methyl-4,5-dihydro-1,3-oxazol-4-yl)-5-methyl-4,5-dihydro-1,3-oxazole-4-carboxylate (CID 71079143) is methyl 2-(2-ethyl-5-methyl-4,5-dihydro-1,3-oxazol-4-yl)-5-methyl-4,5-dihydro-1,3-oxazole-4-carboxylate.
What is the SMILES notation for methyl 2-(2-ethyl-5-methyl-4,5-dihydro-1,3-oxazol-4-yl)-5-methyl-4,5-dihydro-1,3-oxazole-4-carboxylate?
The canonical SMILES for methyl 2-(2-ethyl-5-methyl-4,5-dihydro-1,3-oxazol-4-yl)-5-methyl-4,5-dihydro-1,3-oxazole-4-carboxylate is CCC1=NC(C2=NC(C(=O)OC)C(C)O2)C(C)O1.
What is the InChIKey of methyl 2-(2-ethyl-5-methyl-4,5-dihydro-1,3-oxazol-4-yl)-5-methyl-4,5-dihydro-1,3-oxazole-4-carboxylate?
The InChIKey is WNMQCKNQLSKVCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O4/c1-5-8-13-9(6(2)17-8)11-14-10(7(3)18-11)12(15)16-4/h6-7,9-10H,5H2,1-4H3.
What are the key properties of methyl 2-(2-ethyl-5-methyl-4,5-dihydro-1,3-oxazol-4-yl)-5-methyl-4,5-dihydro-1,3-oxazole-4-carboxylate?
methyl 2-(2-ethyl-5-methyl-4,5-dihydro-1,3-oxazol-4-yl)-5-methyl-4,5-dihydro-1,3-oxazole-4-carboxylate has a molecular weight of 254.29 g/mol, XLogP of 0.94, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2-ethyl-5-methyl-4,5-dihydro-1,3-oxazol-4-yl)-5-methyl-4,5-dihydro-1,3-oxazole-4-carboxylate is sourced from PubChem (CID 71079143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).