2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(3,4,5-trimethoxyphenyl)pyrrolidine-1-carboxamide

C19H25N3O5 — CID 46366624

IUPAC2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(3,4,5-trimethoxyphenyl)pyrrolidine-1-carboxamide
SMILESCOc1cc(NC(=O)N2CCCC2c2c(C)noc2C)cc(OC)c1OC
InChIInChI=1S/C19H25N3O5/c1-11-17(12(2)27-21-11)14-7-6-8-22(14)19(23)20-13-9-15(24-3)18(26-5)16(10-13)25-4/h9-10,14H,6-8H2,1-5H3,(H,20,23)
InChIKeyGJGLWYQBPNBRTK-UHFFFAOYSA-N
MW375.43 g/mol
LogP3.69
Rot. Bonds5

About 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(3,4,5-trimethoxyphenyl)pyrrolidine-1-carboxamide

2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(3,4,5-trimethoxyphenyl)pyrrolidine-1-carboxamide (PubChem CID 46366624) has the molecular formula C19H25N3O5 and a molecular weight of 375.43 g/mol. Its IUPAC name is 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(3,4,5-trimethoxyphenyl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(3,4,5-trimethoxyphenyl)pyrrolidine-1-carboxamide
PubChem CID46366624
Molecular FormulaC19H25N3O5
Molecular Weight375.43 g/mol
Exact Mass375.18
IUPAC Name2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(3,4,5-trimethoxyphenyl)pyrrolidine-1-carboxamide
SMILESCOc1cc(NC(=O)N2CCCC2c2c(C)noc2C)cc(OC)c1OC
InChIInChI=1S/C19H25N3O5/c1-11-17(12(2)27-21-11)14-7-6-8-22(14)19(23)20-13-9-15(24-3)18(26-5)16(10-13)25-4/h9-10,14H,6-8H2,1-5H3,(H,20,23)
InChIKeyGJGLWYQBPNBRTK-UHFFFAOYSA-N
XLogP3.69
TPSA86.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.43
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(3,4,5-trimethoxyphenyl)pyrrolidine-1-carboxamide?
The IUPAC name of 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(3,4,5-trimethoxyphenyl)pyrrolidine-1-carboxamide (CID 46366624) is 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(3,4,5-trimethoxyphenyl)pyrrolidine-1-carboxamide.
What is the SMILES notation for 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(3,4,5-trimethoxyphenyl)pyrrolidine-1-carboxamide?
The canonical SMILES for 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(3,4,5-trimethoxyphenyl)pyrrolidine-1-carboxamide is COc1cc(NC(=O)N2CCCC2c2c(C)noc2C)cc(OC)c1OC.
What is the InChIKey of 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(3,4,5-trimethoxyphenyl)pyrrolidine-1-carboxamide?
The InChIKey is GJGLWYQBPNBRTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O5/c1-11-17(12(2)27-21-11)14-7-6-8-22(14)19(23)20-13-9-15(24-3)18(26-5)16(10-13)25-4/h9-10,14H,6-8H2,1-5H3,(H,20,23).
What are the key properties of 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(3,4,5-trimethoxyphenyl)pyrrolidine-1-carboxamide?
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(3,4,5-trimethoxyphenyl)pyrrolidine-1-carboxamide has a molecular weight of 375.43 g/mol, XLogP of 3.69, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(3,4,5-trimethoxyphenyl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 46366624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).