methyl 2-ethyl-4-methyl-5-[(5-phenyl-1,3-oxazol-2-yl)methylcarbamoyl]-1H-pyrrole-3-carboxylate

C20H21N3O4 — CID 138995343

IUPACmethyl 2-ethyl-4-methyl-5-[(5-phenyl-1,3-oxazol-2-yl)methylcarbamoyl]-1H-pyrrole-3-carboxylate
SMILESCCc1[nH]c(C(=O)NCc2ncc(-c3ccccc3)o2)c(C)c1C(=O)OC
InChIInChI=1S/C20H21N3O4/c1-4-14-17(20(25)26-3)12(2)18(23-14)19(24)22-11-16-21-10-15(27-16)13-8-6-5-7-9-13/h5-10,23H,4,11H2,1-3H3,(H,22,24)
InChIKeyWBVQIDPIVITPHI-UHFFFAOYSA-N
MW367.41 g/mol
LogP3.26
Rot. Bonds6

About methyl 2-ethyl-4-methyl-5-[(5-phenyl-1,3-oxazol-2-yl)methylcarbamoyl]-1H-pyrrole-3-carboxylate

methyl 2-ethyl-4-methyl-5-[(5-phenyl-1,3-oxazol-2-yl)methylcarbamoyl]-1H-pyrrole-3-carboxylate (PubChem CID 138995343) has the molecular formula C20H21N3O4 and a molecular weight of 367.41 g/mol. Its IUPAC name is methyl 2-ethyl-4-methyl-5-[(5-phenyl-1,3-oxazol-2-yl)methylcarbamoyl]-1H-pyrrole-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-ethyl-4-methyl-5-[(5-phenyl-1,3-oxazol-2-yl)methylcarbamoyl]-1H-pyrrole-3-carboxylate
PubChem CID138995343
Molecular FormulaC20H21N3O4
Molecular Weight367.41 g/mol
Exact Mass367.15
IUPAC Namemethyl 2-ethyl-4-methyl-5-[(5-phenyl-1,3-oxazol-2-yl)methylcarbamoyl]-1H-pyrrole-3-carboxylate
SMILESCCc1[nH]c(C(=O)NCc2ncc(-c3ccccc3)o2)c(C)c1C(=O)OC
InChIInChI=1S/C20H21N3O4/c1-4-14-17(20(25)26-3)12(2)18(23-14)19(24)22-11-16-21-10-15(27-16)13-8-6-5-7-9-13/h5-10,23H,4,11H2,1-3H3,(H,22,24)
InChIKeyWBVQIDPIVITPHI-UHFFFAOYSA-N
XLogP3.26
TPSA97.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.41
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze methyl 2-ethyl-4-methyl-5-[(5-phenyl-1,3-oxazol-2-yl)methylcarbamoyl]-1H-pyrrole-3-carboxylate with MolForge

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Related Compounds

4-O-methyl 2-O-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl] 5-ethyl-3-methyl-1H-pyrrole-2,4-dicarboxylate
CID 46519451
methyl 2-ethyl-4-methyl-5-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethylcarbamoyl)-1H-pyrrole-3-carboxylate
CID 51187269
5-ethyl-N-[(5-phenyl-1,3-oxazol-2-yl)methyl]-1H-pyrazole-3-carboxamide
CID 78876396
N-[(5-phenyl-1,3-oxazol-2-yl)methyl]butanamide
CID 47176259
methyl 2-ethyl-4-methyl-5-[[2-(morpholin-4-ylmethyl)phenyl]methylcarbamoyl]-1H-pyrrole-3-carboxylate
CID 51207851
2,5-dimethoxy-N-[(5-phenyl-1,3-oxazol-2-yl)methyl]benzamide
CID 86980175
methyl 2-ethyl-4-methyl-5-[[phenyl(pyridin-2-yl)methyl]carbamoyl]-1H-pyrrole-3-carboxylate
CID 46554484
methyl 2-ethyl-4-methyl-5-[[3-oxo-3-(pyridin-2-ylamino)propyl]carbamoyl]-1H-pyrrole-3-carboxylate
CID 47056285
5-(ethylsulfamoyl)-2-methyl-N-[(5-phenyl-1,3-oxazol-2-yl)methyl]benzamide
CID 86980193
5-ethyl-4-methoxycarbonyl-3-methyl-1H-pyrrole-2-carboxylic acid
CID 2446824
methyl 5-[(2-amino-2-oxo-1-phenylethyl)carbamoyl]-2-ethyl-4-methyl-1H-pyrrole-3-carboxylate
CID 51315314
N-[(5-phenyl-1,3-oxazol-2-yl)methyl]pyridine-3-carboxamide
CID 24957460

Frequently Asked Questions

What is the IUPAC name of methyl 2-ethyl-4-methyl-5-[(5-phenyl-1,3-oxazol-2-yl)methylcarbamoyl]-1H-pyrrole-3-carboxylate?
The IUPAC name of methyl 2-ethyl-4-methyl-5-[(5-phenyl-1,3-oxazol-2-yl)methylcarbamoyl]-1H-pyrrole-3-carboxylate (CID 138995343) is methyl 2-ethyl-4-methyl-5-[(5-phenyl-1,3-oxazol-2-yl)methylcarbamoyl]-1H-pyrrole-3-carboxylate.
What is the SMILES notation for methyl 2-ethyl-4-methyl-5-[(5-phenyl-1,3-oxazol-2-yl)methylcarbamoyl]-1H-pyrrole-3-carboxylate?
The canonical SMILES for methyl 2-ethyl-4-methyl-5-[(5-phenyl-1,3-oxazol-2-yl)methylcarbamoyl]-1H-pyrrole-3-carboxylate is CCc1[nH]c(C(=O)NCc2ncc(-c3ccccc3)o2)c(C)c1C(=O)OC.
What is the InChIKey of methyl 2-ethyl-4-methyl-5-[(5-phenyl-1,3-oxazol-2-yl)methylcarbamoyl]-1H-pyrrole-3-carboxylate?
The InChIKey is WBVQIDPIVITPHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O4/c1-4-14-17(20(25)26-3)12(2)18(23-14)19(24)22-11-16-21-10-15(27-16)13-8-6-5-7-9-13/h5-10,23H,4,11H2,1-3H3,(H,22,24).
What are the key properties of methyl 2-ethyl-4-methyl-5-[(5-phenyl-1,3-oxazol-2-yl)methylcarbamoyl]-1H-pyrrole-3-carboxylate?
methyl 2-ethyl-4-methyl-5-[(5-phenyl-1,3-oxazol-2-yl)methylcarbamoyl]-1H-pyrrole-3-carboxylate has a molecular weight of 367.41 g/mol, XLogP of 3.26, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-ethyl-4-methyl-5-[(5-phenyl-1,3-oxazol-2-yl)methylcarbamoyl]-1H-pyrrole-3-carboxylate is sourced from PubChem (CID 138995343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).