N-(3,5-dimethoxyphenyl)-2-(5-ethyl-3-methyl-1,2-oxazol-4-yl)pyrrolidine-1-carboxamide

C19H25N3O4 — CID 47000854

IUPACN-(3,5-dimethoxyphenyl)-2-(5-ethyl-3-methyl-1,2-oxazol-4-yl)pyrrolidine-1-carboxamide
SMILESCCc1onc(C)c1C1CCCN1C(=O)Nc1cc(OC)cc(OC)c1
InChIInChI=1S/C19H25N3O4/c1-5-17-18(12(2)21-26-17)16-7-6-8-22(16)19(23)20-13-9-14(24-3)11-15(10-13)25-4/h9-11,16H,5-8H2,1-4H3,(H,20,23)
InChIKeyYIEHRAWLONQIOU-UHFFFAOYSA-N
MW359.43 g/mol
LogP3.93
Rot. Bonds5

About N-(3,5-dimethoxyphenyl)-2-(5-ethyl-3-methyl-1,2-oxazol-4-yl)pyrrolidine-1-carboxamide

N-(3,5-dimethoxyphenyl)-2-(5-ethyl-3-methyl-1,2-oxazol-4-yl)pyrrolidine-1-carboxamide (PubChem CID 47000854) has the molecular formula C19H25N3O4 and a molecular weight of 359.43 g/mol. Its IUPAC name is N-(3,5-dimethoxyphenyl)-2-(5-ethyl-3-methyl-1,2-oxazol-4-yl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-(3,5-dimethoxyphenyl)-2-(5-ethyl-3-methyl-1,2-oxazol-4-yl)pyrrolidine-1-carboxamide
PubChem CID47000854
Molecular FormulaC19H25N3O4
Molecular Weight359.43 g/mol
Exact Mass359.18
IUPAC NameN-(3,5-dimethoxyphenyl)-2-(5-ethyl-3-methyl-1,2-oxazol-4-yl)pyrrolidine-1-carboxamide
SMILESCCc1onc(C)c1C1CCCN1C(=O)Nc1cc(OC)cc(OC)c1
InChIInChI=1S/C19H25N3O4/c1-5-17-18(12(2)21-26-17)16-7-6-8-22(16)19(23)20-13-9-14(24-3)11-15(10-13)25-4/h9-11,16H,5-8H2,1-4H3,(H,20,23)
InChIKeyYIEHRAWLONQIOU-UHFFFAOYSA-N
XLogP3.93
TPSA76.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethoxyphenyl)-2-(5-ethyl-3-methyl-1,2-oxazol-4-yl)pyrrolidine-1-carboxamide?
The IUPAC name of N-(3,5-dimethoxyphenyl)-2-(5-ethyl-3-methyl-1,2-oxazol-4-yl)pyrrolidine-1-carboxamide (CID 47000854) is N-(3,5-dimethoxyphenyl)-2-(5-ethyl-3-methyl-1,2-oxazol-4-yl)pyrrolidine-1-carboxamide.
What is the SMILES notation for N-(3,5-dimethoxyphenyl)-2-(5-ethyl-3-methyl-1,2-oxazol-4-yl)pyrrolidine-1-carboxamide?
The canonical SMILES for N-(3,5-dimethoxyphenyl)-2-(5-ethyl-3-methyl-1,2-oxazol-4-yl)pyrrolidine-1-carboxamide is CCc1onc(C)c1C1CCCN1C(=O)Nc1cc(OC)cc(OC)c1.
What is the InChIKey of N-(3,5-dimethoxyphenyl)-2-(5-ethyl-3-methyl-1,2-oxazol-4-yl)pyrrolidine-1-carboxamide?
The InChIKey is YIEHRAWLONQIOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O4/c1-5-17-18(12(2)21-26-17)16-7-6-8-22(16)19(23)20-13-9-14(24-3)11-15(10-13)25-4/h9-11,16H,5-8H2,1-4H3,(H,20,23).
What are the key properties of N-(3,5-dimethoxyphenyl)-2-(5-ethyl-3-methyl-1,2-oxazol-4-yl)pyrrolidine-1-carboxamide?
N-(3,5-dimethoxyphenyl)-2-(5-ethyl-3-methyl-1,2-oxazol-4-yl)pyrrolidine-1-carboxamide has a molecular weight of 359.43 g/mol, XLogP of 3.93, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethoxyphenyl)-2-(5-ethyl-3-methyl-1,2-oxazol-4-yl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 47000854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).