(3,5-dimethyl-1,2-oxazol-4-yl)methyl 1-benzyl-2,5-dimethylpyrrole-3-carboxylate

C20H22N2O3 — CID 32924617

IUPAC(3,5-dimethyl-1,2-oxazol-4-yl)methyl 1-benzyl-2,5-dimethylpyrrole-3-carboxylate
SMILESCc1noc(C)c1COC(=O)c1cc(C)n(Cc2ccccc2)c1C
InChIInChI=1S/C20H22N2O3/c1-13-10-18(15(3)22(13)11-17-8-6-5-7-9-17)20(23)24-12-19-14(2)21-25-16(19)4/h5-10H,11-12H2,1-4H3
InChIKeyLAOYDMQKLMOBOM-UHFFFAOYSA-N
MW338.41 g/mol
LogP4.12
Rot. Bonds5

About (3,5-dimethyl-1,2-oxazol-4-yl)methyl 1-benzyl-2,5-dimethylpyrrole-3-carboxylate

(3,5-dimethyl-1,2-oxazol-4-yl)methyl 1-benzyl-2,5-dimethylpyrrole-3-carboxylate (PubChem CID 32924617) has the molecular formula C20H22N2O3 and a molecular weight of 338.41 g/mol. Its IUPAC name is (3,5-dimethyl-1,2-oxazol-4-yl)methyl 1-benzyl-2,5-dimethylpyrrole-3-carboxylate.

Molecular Properties

Compound Name(3,5-dimethyl-1,2-oxazol-4-yl)methyl 1-benzyl-2,5-dimethylpyrrole-3-carboxylate
PubChem CID32924617
Molecular FormulaC20H22N2O3
Molecular Weight338.41 g/mol
Exact Mass338.16
IUPAC Name(3,5-dimethyl-1,2-oxazol-4-yl)methyl 1-benzyl-2,5-dimethylpyrrole-3-carboxylate
SMILESCc1noc(C)c1COC(=O)c1cc(C)n(Cc2ccccc2)c1C
InChIInChI=1S/C20H22N2O3/c1-13-10-18(15(3)22(13)11-17-8-6-5-7-9-17)20(23)24-12-19-14(2)21-25-16(19)4/h5-10H,11-12H2,1-4H3
InChIKeyLAOYDMQKLMOBOM-UHFFFAOYSA-N
XLogP4.12
TPSA57.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(3,5-dimethyl-1,2-oxazol-4-yl)methyl 2,5-dimethyl-1-phenylpyrrole-3-carboxylate
CID 2124287
ethyl 1-benzyl-2,5-dimethylpyrrole-3-carboxylate
CID 661090
(3,5-dimethyl-1,2-oxazol-4-yl)methyl 3-hydroxynaphthalene-2-carboxylate
CID 2098412
1-benzyl-2,5-dimethylpyrrole-3-carboxamide
CID 47108355
(3,5-dimethyl-1,2-oxazol-4-yl)methyl 2,3-dimethylbenzoate
CID 2364748
[2-[2,5-dimethyl-1-(2-phenylethyl)pyrrol-3-yl]-2-oxoethyl] 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]acetate
CID 30472052
(3,5-dimethyl-1,2-oxazol-4-yl)methyl 5-[benzyl-(4-chlorophenyl)sulfamoyl]-2-chlorobenzoate
CID 2539610
(2-oxo-2-thiophen-2-ylethyl) 1-benzyl-2,5-dimethylpyrrole-3-carboxylate
CID 8672303
2-phenylethyl 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoate
CID 55335080
(3,5-dimethyl-1,2-oxazol-4-yl)methyl 2-hydroxy-3-methoxybenzoate
CID 18075732
(3,5-dimethyl-1,2-oxazol-4-yl)methyl 2-[methyl(phenyl)sulfamoyl]benzoate
CID 30472941
[2-oxo-2-[[(2S)-pentan-2-yl]amino]ethyl] 1-benzyl-2,5-dimethylpyrrole-3-carboxylate
CID 51564697

Frequently Asked Questions

What is the IUPAC name of (3,5-dimethyl-1,2-oxazol-4-yl)methyl 1-benzyl-2,5-dimethylpyrrole-3-carboxylate?
The IUPAC name of (3,5-dimethyl-1,2-oxazol-4-yl)methyl 1-benzyl-2,5-dimethylpyrrole-3-carboxylate (CID 32924617) is (3,5-dimethyl-1,2-oxazol-4-yl)methyl 1-benzyl-2,5-dimethylpyrrole-3-carboxylate.
What is the SMILES notation for (3,5-dimethyl-1,2-oxazol-4-yl)methyl 1-benzyl-2,5-dimethylpyrrole-3-carboxylate?
The canonical SMILES for (3,5-dimethyl-1,2-oxazol-4-yl)methyl 1-benzyl-2,5-dimethylpyrrole-3-carboxylate is Cc1noc(C)c1COC(=O)c1cc(C)n(Cc2ccccc2)c1C.
What is the InChIKey of (3,5-dimethyl-1,2-oxazol-4-yl)methyl 1-benzyl-2,5-dimethylpyrrole-3-carboxylate?
The InChIKey is LAOYDMQKLMOBOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O3/c1-13-10-18(15(3)22(13)11-17-8-6-5-7-9-17)20(23)24-12-19-14(2)21-25-16(19)4/h5-10H,11-12H2,1-4H3.
What are the key properties of (3,5-dimethyl-1,2-oxazol-4-yl)methyl 1-benzyl-2,5-dimethylpyrrole-3-carboxylate?
(3,5-dimethyl-1,2-oxazol-4-yl)methyl 1-benzyl-2,5-dimethylpyrrole-3-carboxylate has a molecular weight of 338.41 g/mol, XLogP of 4.12, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dimethyl-1,2-oxazol-4-yl)methyl 1-benzyl-2,5-dimethylpyrrole-3-carboxylate is sourced from PubChem (CID 32924617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).