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

C17H21N3O3 — CID 50946185

IUPACN-(2-ethoxyphenyl)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidine-1-carboxamide
SMILESCCOc1ccccc1NC(=O)N1CCCC1c1cc(C)no1
InChIInChI=1S/C17H21N3O3/c1-3-22-15-9-5-4-7-13(15)18-17(21)20-10-6-8-14(20)16-11-12(2)19-23-16/h4-5,7,9,11,14H,3,6,8,10H2,1-2H3,(H,18,21)
InChIKeyBNFPFOUMZFUZHU-UHFFFAOYSA-N
MW315.37 g/mol
LogP3.75
Rot. Bonds4

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

N-(2-ethoxyphenyl)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidine-1-carboxamide (PubChem CID 50946185) has the molecular formula C17H21N3O3 and a molecular weight of 315.37 g/mol. Its IUPAC name is N-(2-ethoxyphenyl)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-(2-ethoxyphenyl)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidine-1-carboxamide
PubChem CID50946185
Molecular FormulaC17H21N3O3
Molecular Weight315.37 g/mol
Exact Mass315.16
IUPAC NameN-(2-ethoxyphenyl)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidine-1-carboxamide
SMILESCCOc1ccccc1NC(=O)N1CCCC1c1cc(C)no1
InChIInChI=1S/C17H21N3O3/c1-3-22-15-9-5-4-7-13(15)18-17(21)20-10-6-8-14(20)16-11-12(2)19-23-16/h4-5,7,9,11,14H,3,6,8,10H2,1-2H3,(H,18,21)
InChIKeyBNFPFOUMZFUZHU-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-(2-ethoxyphenyl)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidine-1-carboxamide?
The IUPAC name of N-(2-ethoxyphenyl)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidine-1-carboxamide (CID 50946185) is N-(2-ethoxyphenyl)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidine-1-carboxamide.
What is the SMILES notation for N-(2-ethoxyphenyl)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidine-1-carboxamide?
The canonical SMILES for N-(2-ethoxyphenyl)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidine-1-carboxamide is CCOc1ccccc1NC(=O)N1CCCC1c1cc(C)no1.
What is the InChIKey of N-(2-ethoxyphenyl)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidine-1-carboxamide?
The InChIKey is BNFPFOUMZFUZHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O3/c1-3-22-15-9-5-4-7-13(15)18-17(21)20-10-6-8-14(20)16-11-12(2)19-23-16/h4-5,7,9,11,14H,3,6,8,10H2,1-2H3,(H,18,21).
What are the key properties of N-(2-ethoxyphenyl)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidine-1-carboxamide?
N-(2-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-(2-ethoxyphenyl)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 50946185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).