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

C18H23N3O3 — CID 50947798

IUPACN-(4-ethoxyphenyl)-2-(3-ethyl-1,2-oxazol-5-yl)pyrrolidine-1-carboxamide
SMILESCCOc1ccc(NC(=O)N2CCCC2c2cc(CC)no2)cc1
InChIInChI=1S/C18H23N3O3/c1-3-13-12-17(24-20-13)16-6-5-11-21(16)18(22)19-14-7-9-15(10-8-14)23-4-2/h7-10,12,16H,3-6,11H2,1-2H3,(H,19,22)
InChIKeyIGBNVZNXHIFSKX-UHFFFAOYSA-N
MW329.40 g/mol
LogP4.00
Rot. Bonds5

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

N-(4-ethoxyphenyl)-2-(3-ethyl-1,2-oxazol-5-yl)pyrrolidine-1-carboxamide (PubChem CID 50947798) has the molecular formula C18H23N3O3 and a molecular weight of 329.40 g/mol. Its IUPAC name is N-(4-ethoxyphenyl)-2-(3-ethyl-1,2-oxazol-5-yl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-(4-ethoxyphenyl)-2-(3-ethyl-1,2-oxazol-5-yl)pyrrolidine-1-carboxamide
PubChem CID50947798
Molecular FormulaC18H23N3O3
Molecular Weight329.40 g/mol
Exact Mass329.17
IUPAC NameN-(4-ethoxyphenyl)-2-(3-ethyl-1,2-oxazol-5-yl)pyrrolidine-1-carboxamide
SMILESCCOc1ccc(NC(=O)N2CCCC2c2cc(CC)no2)cc1
InChIInChI=1S/C18H23N3O3/c1-3-13-12-17(24-20-13)16-6-5-11-21(16)18(22)19-14-7-9-15(10-8-14)23-4-2/h7-10,12,16H,3-6,11H2,1-2H3,(H,19,22)
InChIKeyIGBNVZNXHIFSKX-UHFFFAOYSA-N
XLogP4.00
TPSA67.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 54.00
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-ethyl-1,2-oxazol-5-yl)pyrrolidine-1-carboxamide?
The IUPAC name of N-(4-ethoxyphenyl)-2-(3-ethyl-1,2-oxazol-5-yl)pyrrolidine-1-carboxamide (CID 50947798) is N-(4-ethoxyphenyl)-2-(3-ethyl-1,2-oxazol-5-yl)pyrrolidine-1-carboxamide.
What is the SMILES notation for N-(4-ethoxyphenyl)-2-(3-ethyl-1,2-oxazol-5-yl)pyrrolidine-1-carboxamide?
The canonical SMILES for N-(4-ethoxyphenyl)-2-(3-ethyl-1,2-oxazol-5-yl)pyrrolidine-1-carboxamide is CCOc1ccc(NC(=O)N2CCCC2c2cc(CC)no2)cc1.
What is the InChIKey of N-(4-ethoxyphenyl)-2-(3-ethyl-1,2-oxazol-5-yl)pyrrolidine-1-carboxamide?
The InChIKey is IGBNVZNXHIFSKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O3/c1-3-13-12-17(24-20-13)16-6-5-11-21(16)18(22)19-14-7-9-15(10-8-14)23-4-2/h7-10,12,16H,3-6,11H2,1-2H3,(H,19,22).
What are the key properties of N-(4-ethoxyphenyl)-2-(3-ethyl-1,2-oxazol-5-yl)pyrrolidine-1-carboxamide?
N-(4-ethoxyphenyl)-2-(3-ethyl-1,2-oxazol-5-yl)pyrrolidine-1-carboxamide has a molecular weight of 329.40 g/mol, XLogP of 4.00, 5 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-ethyl-1,2-oxazol-5-yl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 50947798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).