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

C17H21N3O3 — CID 47000953

IUPACN-(4-ethoxyphenyl)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidine-1-carboxamide
SMILESCCOc1ccc(NC(=O)N2CCCC2c2cc(C)no2)cc1
InChIInChI=1S/C17H21N3O3/c1-3-22-14-8-6-13(7-9-14)18-17(21)20-10-4-5-15(20)16-11-12(2)19-23-16/h6-9,11,15H,3-5,10H2,1-2H3,(H,18,21)
InChIKeyJHGMNOLUJCJFJZ-UHFFFAOYSA-N
MW315.37 g/mol
LogP3.75
Rot. Bonds4

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

N-(4-ethoxyphenyl)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidine-1-carboxamide (PubChem CID 47000953) has the molecular formula C17H21N3O3 and a molecular weight of 315.37 g/mol. Its IUPAC name is N-(4-ethoxyphenyl)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-(4-ethoxyphenyl)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidine-1-carboxamide
PubChem CID47000953
Molecular FormulaC17H21N3O3
Molecular Weight315.37 g/mol
Exact Mass315.16
IUPAC NameN-(4-ethoxyphenyl)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidine-1-carboxamide
SMILESCCOc1ccc(NC(=O)N2CCCC2c2cc(C)no2)cc1
InChIInChI=1S/C17H21N3O3/c1-3-22-14-8-6-13(7-9-14)18-17(21)20-10-4-5-15(20)16-11-12(2)19-23-16/h6-9,11,15H,3-5,10H2,1-2H3,(H,18,21)
InChIKeyJHGMNOLUJCJFJZ-UHFFFAOYSA-N
XLogP3.75
TPSA67.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.37
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-ethoxyphenyl)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidine-1-carboxamide?
The IUPAC name of N-(4-ethoxyphenyl)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidine-1-carboxamide (CID 47000953) is N-(4-ethoxyphenyl)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidine-1-carboxamide.
What is the SMILES notation for N-(4-ethoxyphenyl)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidine-1-carboxamide?
The canonical SMILES for N-(4-ethoxyphenyl)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidine-1-carboxamide is CCOc1ccc(NC(=O)N2CCCC2c2cc(C)no2)cc1.
What is the InChIKey of N-(4-ethoxyphenyl)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidine-1-carboxamide?
The InChIKey is JHGMNOLUJCJFJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O3/c1-3-22-14-8-6-13(7-9-14)18-17(21)20-10-4-5-15(20)16-11-12(2)19-23-16/h6-9,11,15H,3-5,10H2,1-2H3,(H,18,21).
What are the key properties of N-(4-ethoxyphenyl)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidine-1-carboxamide?
N-(4-ethoxyphenyl)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidine-1-carboxamide has a molecular weight of 315.37 g/mol, XLogP of 3.75, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethoxyphenyl)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 47000953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).