methyl 5-cyclopropyl-3a,4,5,7-tetrahydro-3H-pyrano[3,4-c][1,2]oxazole-3-carboxylate

C11H15NO4 — CID 123984530

IUPACmethyl 5-cyclopropyl-3a,4,5,7-tetrahydro-3H-pyrano[3,4-c][1,2]oxazole-3-carboxylate
SMILESCOC(=O)C1ON=C2COC(C3CC3)CC21
InChIInChI=1S/C11H15NO4/c1-14-11(13)10-7-4-9(6-2-3-6)15-5-8(7)12-16-10/h6-7,9-10H,2-5H2,1H3
InChIKeyJVDHDYCNBKYLDK-UHFFFAOYSA-N
MW225.24 g/mol
LogP0.73
Rot. Bonds2

About methyl 5-cyclopropyl-3a,4,5,7-tetrahydro-3H-pyrano[3,4-c][1,2]oxazole-3-carboxylate

methyl 5-cyclopropyl-3a,4,5,7-tetrahydro-3H-pyrano[3,4-c][1,2]oxazole-3-carboxylate (PubChem CID 123984530) has the molecular formula C11H15NO4 and a molecular weight of 225.24 g/mol. Its IUPAC name is methyl 5-cyclopropyl-3a,4,5,7-tetrahydro-3H-pyrano[3,4-c][1,2]oxazole-3-carboxylate.

Molecular Properties

Compound Namemethyl 5-cyclopropyl-3a,4,5,7-tetrahydro-3H-pyrano[3,4-c][1,2]oxazole-3-carboxylate
PubChem CID123984530
Molecular FormulaC11H15NO4
Molecular Weight225.24 g/mol
Exact Mass225.10
IUPAC Namemethyl 5-cyclopropyl-3a,4,5,7-tetrahydro-3H-pyrano[3,4-c][1,2]oxazole-3-carboxylate
SMILESCOC(=O)C1ON=C2COC(C3CC3)CC21
InChIInChI=1S/C11H15NO4/c1-14-11(13)10-7-4-9(6-2-3-6)15-5-8(7)12-16-10/h6-7,9-10H,2-5H2,1H3
InChIKeyJVDHDYCNBKYLDK-UHFFFAOYSA-N
XLogP0.73
TPSA57.12 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.24
LogP ≤ 50.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze methyl 5-cyclopropyl-3a,4,5,7-tetrahydro-3H-pyrano[3,4-c][1,2]oxazole-3-carboxylate with MolForge

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Related Compounds

methyl (4R,5R)-3,4-dimethyl-4,5-dihydro-1,2-oxazole-5-carboxylate
CID 45090268
methyl bicyclo[2.2.2]octane-2-carboxylate
CID 159345583
dimethyl (1R,2S,5S)-bicyclo[2.2.1]heptane-2,5-dicarboxylate
CID 174166263
dimethyl (4S,5R)-3-(methylcarbamoyl)-4,5-dihydro-1,2-oxazole-4,5-dicarboxylate
CID 53359408
methyl (2R,3S)-3-methyloxolane-2-carboxylate
CID 131847229
methyl 6-[(2-cyclopropyloxan-4-yl)amino]pyridazine-3-carboxylate
CID 133473769
ethane;methyl bicyclo[2.2.1]heptane-2-carboxylate
CID 90952196
dimethyl (1S,2R,4R,5S)-3,6-dioxobicyclo[2.2.2]octane-2,5-dicarboxylate
CID 98538878
methyl (2S,3R,4S,5R)-3,4,5-tris[[tert-butyl(dimethyl)silyl]oxy]-6-hydroxyoxane-2-carboxylate
CID 166001717
methyl 2-oxabicyclo[2.2.2]octane-5-carboxylate;2-oxabicyclo[2.2.2]octane-5-carboxylic acid
CID 158992640
methyl (3aR,6S)-3-pentan-3-yl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,2]oxazole-6-carboxylate
CID 147308441
(2S)-2-[(4R)-2-cyclopropyloxan-4-yl]-2-(methoxycarbonylamino)acetic acid
CID 126547232

Frequently Asked Questions

What is the IUPAC name of methyl 5-cyclopropyl-3a,4,5,7-tetrahydro-3H-pyrano[3,4-c][1,2]oxazole-3-carboxylate?
The IUPAC name of methyl 5-cyclopropyl-3a,4,5,7-tetrahydro-3H-pyrano[3,4-c][1,2]oxazole-3-carboxylate (CID 123984530) is methyl 5-cyclopropyl-3a,4,5,7-tetrahydro-3H-pyrano[3,4-c][1,2]oxazole-3-carboxylate.
What is the SMILES notation for methyl 5-cyclopropyl-3a,4,5,7-tetrahydro-3H-pyrano[3,4-c][1,2]oxazole-3-carboxylate?
The canonical SMILES for methyl 5-cyclopropyl-3a,4,5,7-tetrahydro-3H-pyrano[3,4-c][1,2]oxazole-3-carboxylate is COC(=O)C1ON=C2COC(C3CC3)CC21.
What is the InChIKey of methyl 5-cyclopropyl-3a,4,5,7-tetrahydro-3H-pyrano[3,4-c][1,2]oxazole-3-carboxylate?
The InChIKey is JVDHDYCNBKYLDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO4/c1-14-11(13)10-7-4-9(6-2-3-6)15-5-8(7)12-16-10/h6-7,9-10H,2-5H2,1H3.
What are the key properties of methyl 5-cyclopropyl-3a,4,5,7-tetrahydro-3H-pyrano[3,4-c][1,2]oxazole-3-carboxylate?
methyl 5-cyclopropyl-3a,4,5,7-tetrahydro-3H-pyrano[3,4-c][1,2]oxazole-3-carboxylate has a molecular weight of 225.24 g/mol, XLogP of 0.73, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-cyclopropyl-3a,4,5,7-tetrahydro-3H-pyrano[3,4-c][1,2]oxazole-3-carboxylate is sourced from PubChem (CID 123984530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).