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

C18H23N3O4 — CID 47000834

IUPACN-(3,5-dimethoxyphenyl)-2-(3-ethyl-1,2-oxazol-5-yl)pyrrolidine-1-carboxamide
SMILESCCc1cc(C2CCCN2C(=O)Nc2cc(OC)cc(OC)c2)on1
InChIInChI=1S/C18H23N3O4/c1-4-12-10-17(25-20-12)16-6-5-7-21(16)18(22)19-13-8-14(23-2)11-15(9-13)24-3/h8-11,16H,4-7H2,1-3H3,(H,19,22)
InChIKeyICHRSMDSZLHOHH-UHFFFAOYSA-N
MW345.40 g/mol
LogP3.62
Rot. Bonds5

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

N-(3,5-dimethoxyphenyl)-2-(3-ethyl-1,2-oxazol-5-yl)pyrrolidine-1-carboxamide (PubChem CID 47000834) has the molecular formula C18H23N3O4 and a molecular weight of 345.40 g/mol. Its IUPAC name is N-(3,5-dimethoxyphenyl)-2-(3-ethyl-1,2-oxazol-5-yl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-(3,5-dimethoxyphenyl)-2-(3-ethyl-1,2-oxazol-5-yl)pyrrolidine-1-carboxamide
PubChem CID47000834
Molecular FormulaC18H23N3O4
Molecular Weight345.40 g/mol
Exact Mass345.17
IUPAC NameN-(3,5-dimethoxyphenyl)-2-(3-ethyl-1,2-oxazol-5-yl)pyrrolidine-1-carboxamide
SMILESCCc1cc(C2CCCN2C(=O)Nc2cc(OC)cc(OC)c2)on1
InChIInChI=1S/C18H23N3O4/c1-4-12-10-17(25-20-12)16-6-5-7-21(16)18(22)19-13-8-14(23-2)11-15(9-13)24-3/h8-11,16H,4-7H2,1-3H3,(H,19,22)
InChIKeyICHRSMDSZLHOHH-UHFFFAOYSA-N
XLogP3.62
TPSA76.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.40
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-methoxyphenyl)-2-(3-methyl-5-isoxazolyl)-1-pyrrolidinecarboxamide
CID 42962723
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(3,4,5-trimethoxyphenyl)pyrrolidine-1-carboxamide
CID 46366624
2-(5-ethyl-3-methyl-1,2-oxazol-4-yl)-N-(3,4,5-trimethoxyphenyl)pyrrolidine-1-carboxamide
CID 46366633
N-(3-methoxyphenyl)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidine-1-carboxamide
CID 47000833
2-(5-propyl-3-isoxazolyl)-N-(3,4,5-trimethoxyphenyl)-1-pyrrolidinecarboxamide
CID 47000851
N-(3,5-dimethoxyphenyl)-2-(5-ethyl-3-methyl-1,2-oxazol-4-yl)pyrrolidine-1-carboxamide
CID 47000854
N-(2,5-dimethoxyphenyl)-2-(3-ethyl-1,2-oxazol-5-yl)pyrrolidine-1-carboxamide
CID 47000916
N-(2,4-Dimethoxyphenyl)-2-[5-(propan-2-YL)-1,2-oxazol-3-YL]pyrrolidine-1-carboxamide
CID 47000926
N-(4-ethoxyphenyl)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidine-1-carboxamide
CID 47000953
N-(5-chloro-2,4-dimethoxyphenyl)-2-(3-ethyl-1,2-oxazol-5-yl)pyrrolidine-1-carboxamide
CID 47001061
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(3-ethyl-1,2-oxazol-5-yl)pyrrolidine-1-carboxamide
CID 47001119
N-(2-methoxy-5-methylphenyl)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidine-1-carboxamide
CID 47001143

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethoxyphenyl)-2-(3-ethyl-1,2-oxazol-5-yl)pyrrolidine-1-carboxamide?
The IUPAC name of N-(3,5-dimethoxyphenyl)-2-(3-ethyl-1,2-oxazol-5-yl)pyrrolidine-1-carboxamide (CID 47000834) is N-(3,5-dimethoxyphenyl)-2-(3-ethyl-1,2-oxazol-5-yl)pyrrolidine-1-carboxamide.
What is the SMILES notation for N-(3,5-dimethoxyphenyl)-2-(3-ethyl-1,2-oxazol-5-yl)pyrrolidine-1-carboxamide?
The canonical SMILES for N-(3,5-dimethoxyphenyl)-2-(3-ethyl-1,2-oxazol-5-yl)pyrrolidine-1-carboxamide is CCc1cc(C2CCCN2C(=O)Nc2cc(OC)cc(OC)c2)on1.
What is the InChIKey of N-(3,5-dimethoxyphenyl)-2-(3-ethyl-1,2-oxazol-5-yl)pyrrolidine-1-carboxamide?
The InChIKey is ICHRSMDSZLHOHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O4/c1-4-12-10-17(25-20-12)16-6-5-7-21(16)18(22)19-13-8-14(23-2)11-15(9-13)24-3/h8-11,16H,4-7H2,1-3H3,(H,19,22).
What are the key properties of N-(3,5-dimethoxyphenyl)-2-(3-ethyl-1,2-oxazol-5-yl)pyrrolidine-1-carboxamide?
N-(3,5-dimethoxyphenyl)-2-(3-ethyl-1,2-oxazol-5-yl)pyrrolidine-1-carboxamide has a molecular weight of 345.40 g/mol, XLogP of 3.62, 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-(3-ethyl-1,2-oxazol-5-yl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 47000834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).