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

C18H23N3O3 — CID 47001195

IUPACN-(2-ethoxyphenyl)-2-(3-ethyl-1,2-oxazol-5-yl)pyrrolidine-1-carboxamide
SMILESCCOc1ccccc1NC(=O)N1CCCC1c1cc(CC)no1
InChIInChI=1S/C18H23N3O3/c1-3-13-12-17(24-20-13)15-9-7-11-21(15)18(22)19-14-8-5-6-10-16(14)23-4-2/h5-6,8,10,12,15H,3-4,7,9,11H2,1-2H3,(H,19,22)
InChIKeyWXNUTMAYTHILQV-UHFFFAOYSA-N
MW329.40 g/mol
LogP4.00
Rot. Bonds5

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

N-(2-ethoxyphenyl)-2-(3-ethyl-1,2-oxazol-5-yl)pyrrolidine-1-carboxamide (PubChem CID 47001195) has the molecular formula C18H23N3O3 and a molecular weight of 329.40 g/mol. Its IUPAC name is N-(2-ethoxyphenyl)-2-(3-ethyl-1,2-oxazol-5-yl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-(2-ethoxyphenyl)-2-(3-ethyl-1,2-oxazol-5-yl)pyrrolidine-1-carboxamide
PubChem CID47001195
Molecular FormulaC18H23N3O3
Molecular Weight329.40 g/mol
Exact Mass329.17
IUPAC NameN-(2-ethoxyphenyl)-2-(3-ethyl-1,2-oxazol-5-yl)pyrrolidine-1-carboxamide
SMILESCCOc1ccccc1NC(=O)N1CCCC1c1cc(CC)no1
InChIInChI=1S/C18H23N3O3/c1-3-13-12-17(24-20-13)15-9-7-11-21(15)18(22)19-14-8-5-6-10-16(14)23-4-2/h5-6,8,10,12,15H,3-4,7,9,11H2,1-2H3,(H,19,22)
InChIKeyWXNUTMAYTHILQV-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-(2-ethoxyphenyl)-2-(3-ethyl-1,2-oxazol-5-yl)pyrrolidine-1-carboxamide?
The IUPAC name of N-(2-ethoxyphenyl)-2-(3-ethyl-1,2-oxazol-5-yl)pyrrolidine-1-carboxamide (CID 47001195) is N-(2-ethoxyphenyl)-2-(3-ethyl-1,2-oxazol-5-yl)pyrrolidine-1-carboxamide.
What is the SMILES notation for N-(2-ethoxyphenyl)-2-(3-ethyl-1,2-oxazol-5-yl)pyrrolidine-1-carboxamide?
The canonical SMILES for N-(2-ethoxyphenyl)-2-(3-ethyl-1,2-oxazol-5-yl)pyrrolidine-1-carboxamide is CCOc1ccccc1NC(=O)N1CCCC1c1cc(CC)no1.
What is the InChIKey of N-(2-ethoxyphenyl)-2-(3-ethyl-1,2-oxazol-5-yl)pyrrolidine-1-carboxamide?
The InChIKey is WXNUTMAYTHILQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O3/c1-3-13-12-17(24-20-13)15-9-7-11-21(15)18(22)19-14-8-5-6-10-16(14)23-4-2/h5-6,8,10,12,15H,3-4,7,9,11H2,1-2H3,(H,19,22).
What are the key properties of N-(2-ethoxyphenyl)-2-(3-ethyl-1,2-oxazol-5-yl)pyrrolidine-1-carboxamide?
N-(2-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-(2-ethoxyphenyl)-2-(3-ethyl-1,2-oxazol-5-yl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 47001195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).