ethyl 3-methyl-1-(1,2-oxazol-5-ylmethyl)pyrrole-2-carboxylate

C12H14N2O3 — CID 105421696

IUPACethyl 3-methyl-1-(1,2-oxazol-5-ylmethyl)pyrrole-2-carboxylate
SMILESCCOC(=O)c1c(C)ccn1Cc1ccno1
InChIInChI=1S/C12H14N2O3/c1-3-16-12(15)11-9(2)5-7-14(11)8-10-4-6-13-17-10/h4-7H,3,8H2,1-2H3
InChIKeyHWMDZEFTQSXPNM-UHFFFAOYSA-N
MW234.25 g/mol
LogP2.01
Rot. Bonds4

About ethyl 3-methyl-1-(1,2-oxazol-5-ylmethyl)pyrrole-2-carboxylate

ethyl 3-methyl-1-(1,2-oxazol-5-ylmethyl)pyrrole-2-carboxylate (PubChem CID 105421696) has the molecular formula C12H14N2O3 and a molecular weight of 234.25 g/mol. Its IUPAC name is ethyl 3-methyl-1-(1,2-oxazol-5-ylmethyl)pyrrole-2-carboxylate.

Molecular Properties

Compound Nameethyl 3-methyl-1-(1,2-oxazol-5-ylmethyl)pyrrole-2-carboxylate
PubChem CID105421696
Molecular FormulaC12H14N2O3
Molecular Weight234.25 g/mol
Exact Mass234.10
IUPAC Nameethyl 3-methyl-1-(1,2-oxazol-5-ylmethyl)pyrrole-2-carboxylate
SMILESCCOC(=O)c1c(C)ccn1Cc1ccno1
InChIInChI=1S/C12H14N2O3/c1-3-16-12(15)11-9(2)5-7-14(11)8-10-4-6-13-17-10/h4-7H,3,8H2,1-2H3
InChIKeyHWMDZEFTQSXPNM-UHFFFAOYSA-N
XLogP2.01
TPSA57.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.25
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 1-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-3-methylpyrrole-2-carboxylate
CID 105421775
ethyl 1-[(5-fluoro-2-methylphenyl)methyl]-3-methylpyrrole-2-carboxylate
CID 105421801
ethyl 1-[(3-fluorophenyl)methyl]-3-methylpyrrole-2-carboxylate
CID 105421652
ethyl 1-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-3-methylpyrrole-2-carboxylate
CID 105421740
ethyl 1-(1,2-oxazol-5-ylmethyl)-6-oxo-4-(trifluoromethyl)pyridine-3-carboxylate
CID 166372466
ethyl 5-amino-2-methyl-1-(1,2-oxazol-5-ylmethyl)imidazole-4-carboxylate
CID 114186660
ethyl 1-[(1,3-diethylpyrazol-5-yl)methyl]-3-methylpyrrole-2-carboxylate
CID 105421707
ethyl 1-(2-imidazol-1-ylethyl)-3-methylpyrrole-2-carboxylate
CID 105421743
ethyl 1-(2-chloroprop-2-enyl)-3-methylpyrrole-2-carboxylate
CID 105421842
ethyl 3-methyl-1-[(2-propyl-1,2,4-triazol-3-yl)methyl]pyrrole-2-carboxylate
CID 105421687
ethyl 1-(2,3-dihydroxypropyl)-3-methylpyrrole-2-carboxylate
CID 105421719
ethyl 1-[(4-cyano-2-fluorophenyl)methyl]-3-methylpyrrole-2-carboxylate
CID 105421773

Frequently Asked Questions

What is the IUPAC name of ethyl 3-methyl-1-(1,2-oxazol-5-ylmethyl)pyrrole-2-carboxylate?
The IUPAC name of ethyl 3-methyl-1-(1,2-oxazol-5-ylmethyl)pyrrole-2-carboxylate (CID 105421696) is ethyl 3-methyl-1-(1,2-oxazol-5-ylmethyl)pyrrole-2-carboxylate.
What is the SMILES notation for ethyl 3-methyl-1-(1,2-oxazol-5-ylmethyl)pyrrole-2-carboxylate?
The canonical SMILES for ethyl 3-methyl-1-(1,2-oxazol-5-ylmethyl)pyrrole-2-carboxylate is CCOC(=O)c1c(C)ccn1Cc1ccno1.
What is the InChIKey of ethyl 3-methyl-1-(1,2-oxazol-5-ylmethyl)pyrrole-2-carboxylate?
The InChIKey is HWMDZEFTQSXPNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O3/c1-3-16-12(15)11-9(2)5-7-14(11)8-10-4-6-13-17-10/h4-7H,3,8H2,1-2H3.
What are the key properties of ethyl 3-methyl-1-(1,2-oxazol-5-ylmethyl)pyrrole-2-carboxylate?
ethyl 3-methyl-1-(1,2-oxazol-5-ylmethyl)pyrrole-2-carboxylate has a molecular weight of 234.25 g/mol, XLogP of 2.01, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-methyl-1-(1,2-oxazol-5-ylmethyl)pyrrole-2-carboxylate is sourced from PubChem (CID 105421696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).