methyl (4R,5R)-3,4-dimethyl-4,5-dihydro-1,2-oxazole-5-carboxylate

C7H11NO3 — CID 45090268

IUPACmethyl (4R,5R)-3,4-dimethyl-4,5-dihydro-1,2-oxazole-5-carboxylate
SMILESCOC(=O)[C@@H]1ON=C(C)[C@H]1C
InChIInChI=1S/C7H11NO3/c1-4-5(2)8-11-6(4)7(9)10-3/h4,6H,1-3H3/t4-,6-/m1/s1
InChIKeyRKDWEYCDIQFHPA-INEUFUBQSA-N
MW157.17 g/mol
LogP0.57
Rot. Bonds1

About methyl (4R,5R)-3,4-dimethyl-4,5-dihydro-1,2-oxazole-5-carboxylate

methyl (4R,5R)-3,4-dimethyl-4,5-dihydro-1,2-oxazole-5-carboxylate (PubChem CID 45090268) has the molecular formula C7H11NO3 and a molecular weight of 157.17 g/mol. Its IUPAC name is methyl (4R,5R)-3,4-dimethyl-4,5-dihydro-1,2-oxazole-5-carboxylate.

Molecular Properties

Compound Namemethyl (4R,5R)-3,4-dimethyl-4,5-dihydro-1,2-oxazole-5-carboxylate
PubChem CID45090268
Molecular FormulaC7H11NO3
Molecular Weight157.17 g/mol
Exact Mass157.07
IUPAC Namemethyl (4R,5R)-3,4-dimethyl-4,5-dihydro-1,2-oxazole-5-carboxylate
SMILESCOC(=O)[C@@H]1ON=C(C)[C@H]1C
InChIInChI=1S/C7H11NO3/c1-4-5(2)8-11-6(4)7(9)10-3/h4,6H,1-3H3/t4-,6-/m1/s1
InChIKeyRKDWEYCDIQFHPA-INEUFUBQSA-N
XLogP0.57
TPSA47.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.17
LogP ≤ 50.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl (4R,5R)-3,4-dimethyl-4,5-dihydro-1,2-oxazole-5-carboxylate?
The IUPAC name of methyl (4R,5R)-3,4-dimethyl-4,5-dihydro-1,2-oxazole-5-carboxylate (CID 45090268) is methyl (4R,5R)-3,4-dimethyl-4,5-dihydro-1,2-oxazole-5-carboxylate.
What is the SMILES notation for methyl (4R,5R)-3,4-dimethyl-4,5-dihydro-1,2-oxazole-5-carboxylate?
The canonical SMILES for methyl (4R,5R)-3,4-dimethyl-4,5-dihydro-1,2-oxazole-5-carboxylate is COC(=O)[C@@H]1ON=C(C)[C@H]1C.
What is the InChIKey of methyl (4R,5R)-3,4-dimethyl-4,5-dihydro-1,2-oxazole-5-carboxylate?
The InChIKey is RKDWEYCDIQFHPA-INEUFUBQSA-N. The full InChI is InChI=1S/C7H11NO3/c1-4-5(2)8-11-6(4)7(9)10-3/h4,6H,1-3H3/t4-,6-/m1/s1.
What are the key properties of methyl (4R,5R)-3,4-dimethyl-4,5-dihydro-1,2-oxazole-5-carboxylate?
methyl (4R,5R)-3,4-dimethyl-4,5-dihydro-1,2-oxazole-5-carboxylate has a molecular weight of 157.17 g/mol, XLogP of 0.57, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (4R,5R)-3,4-dimethyl-4,5-dihydro-1,2-oxazole-5-carboxylate is sourced from PubChem (CID 45090268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).