prop-2-enyl 2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrole-3-carboxylate

C14H16N2O3 — CID 78832442

IUPACprop-2-enyl 2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrole-3-carboxylate
SMILESC=CCOC(=O)c1cc(C)n(-c2cc(C)on2)c1C
InChIInChI=1S/C14H16N2O3/c1-5-6-18-14(17)12-7-9(2)16(11(12)4)13-8-10(3)19-15-13/h5,7-8H,1,6H2,2-4H3
InChIKeyYLSPFYFDOVKCMM-UHFFFAOYSA-N
MW260.29 g/mol
LogP2.73
Rot. Bonds4

About prop-2-enyl 2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrole-3-carboxylate

prop-2-enyl 2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrole-3-carboxylate (PubChem CID 78832442) has the molecular formula C14H16N2O3 and a molecular weight of 260.29 g/mol. Its IUPAC name is prop-2-enyl 2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrole-3-carboxylate.

Molecular Properties

Compound Nameprop-2-enyl 2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrole-3-carboxylate
PubChem CID78832442
Molecular FormulaC14H16N2O3
Molecular Weight260.29 g/mol
Exact Mass260.12
IUPAC Nameprop-2-enyl 2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrole-3-carboxylate
SMILESC=CCOC(=O)c1cc(C)n(-c2cc(C)on2)c1C
InChIInChI=1S/C14H16N2O3/c1-5-6-18-14(17)12-7-9(2)16(11(12)4)13-8-10(3)19-15-13/h5,7-8H,1,6H2,2-4H3
InChIKeyYLSPFYFDOVKCMM-UHFFFAOYSA-N
XLogP2.73
TPSA57.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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 2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrole-3-carboxylate?
The IUPAC name of prop-2-enyl 2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrole-3-carboxylate (CID 78832442) is prop-2-enyl 2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrole-3-carboxylate.
What is the SMILES notation for prop-2-enyl 2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrole-3-carboxylate?
The canonical SMILES for prop-2-enyl 2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrole-3-carboxylate is C=CCOC(=O)c1cc(C)n(-c2cc(C)on2)c1C.
What is the InChIKey of prop-2-enyl 2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrole-3-carboxylate?
The InChIKey is YLSPFYFDOVKCMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O3/c1-5-6-18-14(17)12-7-9(2)16(11(12)4)13-8-10(3)19-15-13/h5,7-8H,1,6H2,2-4H3.
What are the key properties of prop-2-enyl 2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrole-3-carboxylate?
prop-2-enyl 2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrole-3-carboxylate has a molecular weight of 260.29 g/mol, XLogP of 2.73, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enyl 2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrole-3-carboxylate is sourced from PubChem (CID 78832442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).