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

C7H11NO3 — CID 100999767

IUPACmethyl (4R,5R)-4,5-dimethyl-5H-1,3-oxazole-4-carboxylate
SMILESCOC(=O)[C@]1(C)N=CO[C@@H]1C
InChIInChI=1S/C7H11NO3/c1-5-7(2,6(9)10-3)8-4-11-5/h4-5H,1-3H3/t5-,7-/m1/s1
InChIKeyFFWVNFXQTMTMJC-IYSWYEEDSA-N
MW157.17 g/mol
LogP0.37
Rot. Bonds1

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

methyl (4R,5R)-4,5-dimethyl-5H-1,3-oxazole-4-carboxylate (PubChem CID 100999767) has the molecular formula C7H11NO3 and a molecular weight of 157.17 g/mol. Its IUPAC name is methyl (4R,5R)-4,5-dimethyl-5H-1,3-oxazole-4-carboxylate.

Molecular Properties

Compound Namemethyl (4R,5R)-4,5-dimethyl-5H-1,3-oxazole-4-carboxylate
PubChem CID100999767
Molecular FormulaC7H11NO3
Molecular Weight157.17 g/mol
Exact Mass157.07
IUPAC Namemethyl (4R,5R)-4,5-dimethyl-5H-1,3-oxazole-4-carboxylate
SMILESCOC(=O)[C@]1(C)N=CO[C@@H]1C
InChIInChI=1S/C7H11NO3/c1-5-7(2,6(9)10-3)8-4-11-5/h4-5H,1-3H3/t5-,7-/m1/s1
InChIKeyFFWVNFXQTMTMJC-IYSWYEEDSA-N
XLogP0.37
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 ≤ 50.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl (4R,5R)-4,5-dimethyl-5H-1,3-oxazole-4-carboxylate?
The IUPAC name of methyl (4R,5R)-4,5-dimethyl-5H-1,3-oxazole-4-carboxylate (CID 100999767) is methyl (4R,5R)-4,5-dimethyl-5H-1,3-oxazole-4-carboxylate.
What is the SMILES notation for methyl (4R,5R)-4,5-dimethyl-5H-1,3-oxazole-4-carboxylate?
The canonical SMILES for methyl (4R,5R)-4,5-dimethyl-5H-1,3-oxazole-4-carboxylate is COC(=O)[C@]1(C)N=CO[C@@H]1C.
What is the InChIKey of methyl (4R,5R)-4,5-dimethyl-5H-1,3-oxazole-4-carboxylate?
The InChIKey is FFWVNFXQTMTMJC-IYSWYEEDSA-N. The full InChI is InChI=1S/C7H11NO3/c1-5-7(2,6(9)10-3)8-4-11-5/h4-5H,1-3H3/t5-,7-/m1/s1.
What are the key properties of methyl (4R,5R)-4,5-dimethyl-5H-1,3-oxazole-4-carboxylate?
methyl (4R,5R)-4,5-dimethyl-5H-1,3-oxazole-4-carboxylate has a molecular weight of 157.17 g/mol, XLogP of 0.37, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (4R,5R)-4,5-dimethyl-5H-1,3-oxazole-4-carboxylate is sourced from PubChem (CID 100999767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).