prop-2-enyl 5-methyl-3-propan-2-yl-4H-1,2-oxazole-5-carboxylate

C11H17NO3 — CID 167362859

IUPACprop-2-enyl 5-methyl-3-propan-2-yl-4H-1,2-oxazole-5-carboxylate
SMILESC=CCOC(=O)C1(C)CC(C(C)C)=NO1
InChIInChI=1S/C11H17NO3/c1-5-6-14-10(13)11(4)7-9(8(2)3)12-15-11/h5,8H,1,6-7H2,2-4H3
InChIKeyWLNHJIXMFINMRX-UHFFFAOYSA-N
MW211.26 g/mol
LogP1.91
Rot. Bonds4

About prop-2-enyl 5-methyl-3-propan-2-yl-4H-1,2-oxazole-5-carboxylate

prop-2-enyl 5-methyl-3-propan-2-yl-4H-1,2-oxazole-5-carboxylate (PubChem CID 167362859) has the molecular formula C11H17NO3 and a molecular weight of 211.26 g/mol. Its IUPAC name is prop-2-enyl 5-methyl-3-propan-2-yl-4H-1,2-oxazole-5-carboxylate.

Molecular Properties

Compound Nameprop-2-enyl 5-methyl-3-propan-2-yl-4H-1,2-oxazole-5-carboxylate
PubChem CID167362859
Molecular FormulaC11H17NO3
Molecular Weight211.26 g/mol
Exact Mass211.12
IUPAC Nameprop-2-enyl 5-methyl-3-propan-2-yl-4H-1,2-oxazole-5-carboxylate
SMILESC=CCOC(=O)C1(C)CC(C(C)C)=NO1
InChIInChI=1S/C11H17NO3/c1-5-6-14-10(13)11(4)7-9(8(2)3)12-15-11/h5,8H,1,6-7H2,2-4H3
InChIKeyWLNHJIXMFINMRX-UHFFFAOYSA-N
XLogP1.91
TPSA47.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of prop-2-enyl 5-methyl-3-propan-2-yl-4H-1,2-oxazole-5-carboxylate?
The IUPAC name of prop-2-enyl 5-methyl-3-propan-2-yl-4H-1,2-oxazole-5-carboxylate (CID 167362859) is prop-2-enyl 5-methyl-3-propan-2-yl-4H-1,2-oxazole-5-carboxylate.
What is the SMILES notation for prop-2-enyl 5-methyl-3-propan-2-yl-4H-1,2-oxazole-5-carboxylate?
The canonical SMILES for prop-2-enyl 5-methyl-3-propan-2-yl-4H-1,2-oxazole-5-carboxylate is C=CCOC(=O)C1(C)CC(C(C)C)=NO1.
What is the InChIKey of prop-2-enyl 5-methyl-3-propan-2-yl-4H-1,2-oxazole-5-carboxylate?
The InChIKey is WLNHJIXMFINMRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO3/c1-5-6-14-10(13)11(4)7-9(8(2)3)12-15-11/h5,8H,1,6-7H2,2-4H3.
What are the key properties of prop-2-enyl 5-methyl-3-propan-2-yl-4H-1,2-oxazole-5-carboxylate?
prop-2-enyl 5-methyl-3-propan-2-yl-4H-1,2-oxazole-5-carboxylate has a molecular weight of 211.26 g/mol, XLogP of 1.91, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enyl 5-methyl-3-propan-2-yl-4H-1,2-oxazole-5-carboxylate is sourced from PubChem (CID 167362859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).