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

C18H23N3O4 — CID 47000916

IUPACN-(2,5-dimethoxyphenyl)-2-(3-ethyl-1,2-oxazol-5-yl)pyrrolidine-1-carboxamide
SMILESCCc1cc(C2CCCN2C(=O)Nc2cc(OC)ccc2OC)on1
InChIInChI=1S/C18H23N3O4/c1-4-12-10-17(25-20-12)15-6-5-9-21(15)18(22)19-14-11-13(23-2)7-8-16(14)24-3/h7-8,10-11,15H,4-6,9H2,1-3H3,(H,19,22)
InChIKeyQQVYHGGVGRWZDZ-UHFFFAOYSA-N
MW345.40 g/mol
LogP3.62
Rot. Bonds5

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

N-(2,5-dimethoxyphenyl)-2-(3-ethyl-1,2-oxazol-5-yl)pyrrolidine-1-carboxamide (PubChem CID 47000916) has the molecular formula C18H23N3O4 and a molecular weight of 345.40 g/mol. Its IUPAC name is N-(2,5-dimethoxyphenyl)-2-(3-ethyl-1,2-oxazol-5-yl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-(2,5-dimethoxyphenyl)-2-(3-ethyl-1,2-oxazol-5-yl)pyrrolidine-1-carboxamide
PubChem CID47000916
Molecular FormulaC18H23N3O4
Molecular Weight345.40 g/mol
Exact Mass345.17
IUPAC NameN-(2,5-dimethoxyphenyl)-2-(3-ethyl-1,2-oxazol-5-yl)pyrrolidine-1-carboxamide
SMILESCCc1cc(C2CCCN2C(=O)Nc2cc(OC)ccc2OC)on1
InChIInChI=1S/C18H23N3O4/c1-4-12-10-17(25-20-12)15-6-5-9-21(15)18(22)19-14-11-13(23-2)7-8-16(14)24-3/h7-8,10-11,15H,4-6,9H2,1-3H3,(H,19,22)
InChIKeyQQVYHGGVGRWZDZ-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-(2,5-diethoxyphenyl)-5-(morpholin-4-ylmethyl)-1,2-oxazole-3-carboxamide
CID 16027252
N-(2,5-Dimethoxyphenyl)-5-[(pyrrolidin-1-YL)methyl]-1,2-oxazole-3-carboxamide
CID 16027280
N-(2-methoxyphenyl)-2-(3-methyl-5-isoxazolyl)-1-pyrrolidinecarboxamide
CID 42962723
N-(3-methoxyphenyl)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidine-1-carboxamide
CID 47000833
N-(3,5-dimethoxyphenyl)-2-(3-ethyl-1,2-oxazol-5-yl)pyrrolidine-1-carboxamide
CID 47000834
N-(3,5-dimethoxyphenyl)-2-(5-ethyl-3-methyl-1,2-oxazol-4-yl)pyrrolidine-1-carboxamide
CID 47000854
N-(4-ethoxyphenyl)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidine-1-carboxamide
CID 47000953
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(2-methoxy-5-methylphenyl)pyrrolidine-1-carboxamide
CID 47001037
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
N-(2-Ethoxyphenyl)-2-[3-(propan-2-YL)-1,2-oxazol-5-YL]pyrrolidine-1-carboxamide
CID 47001144
N-(2,4-dimethoxyphenyl)-2-(3-ethyl-1,2-oxazol-5-yl)pyrrolidine-1-carboxamide
CID 47001165

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethoxyphenyl)-2-(3-ethyl-1,2-oxazol-5-yl)pyrrolidine-1-carboxamide?
The IUPAC name of N-(2,5-dimethoxyphenyl)-2-(3-ethyl-1,2-oxazol-5-yl)pyrrolidine-1-carboxamide (CID 47000916) is N-(2,5-dimethoxyphenyl)-2-(3-ethyl-1,2-oxazol-5-yl)pyrrolidine-1-carboxamide.
What is the SMILES notation for N-(2,5-dimethoxyphenyl)-2-(3-ethyl-1,2-oxazol-5-yl)pyrrolidine-1-carboxamide?
The canonical SMILES for N-(2,5-dimethoxyphenyl)-2-(3-ethyl-1,2-oxazol-5-yl)pyrrolidine-1-carboxamide is CCc1cc(C2CCCN2C(=O)Nc2cc(OC)ccc2OC)on1.
What is the InChIKey of N-(2,5-dimethoxyphenyl)-2-(3-ethyl-1,2-oxazol-5-yl)pyrrolidine-1-carboxamide?
The InChIKey is QQVYHGGVGRWZDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O4/c1-4-12-10-17(25-20-12)15-6-5-9-21(15)18(22)19-14-11-13(23-2)7-8-16(14)24-3/h7-8,10-11,15H,4-6,9H2,1-3H3,(H,19,22).
What are the key properties of N-(2,5-dimethoxyphenyl)-2-(3-ethyl-1,2-oxazol-5-yl)pyrrolidine-1-carboxamide?
N-(2,5-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-(2,5-dimethoxyphenyl)-2-(3-ethyl-1,2-oxazol-5-yl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 47000916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).