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

C17H21N3O3 — CID 47001143

IUPACN-(2-methoxy-5-methylphenyl)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidine-1-carboxamide
SMILESCOc1ccc(C)cc1NC(=O)N1CCCC1c1cc(C)no1
InChIInChI=1S/C17H21N3O3/c1-11-6-7-15(22-3)13(9-11)18-17(21)20-8-4-5-14(20)16-10-12(2)19-23-16/h6-7,9-10,14H,4-5,8H2,1-3H3,(H,18,21)
InChIKeyDNJMYYIJNCSGGT-UHFFFAOYSA-N
MW315.37 g/mol
LogP3.67
Rot. Bonds3

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

N-(2-methoxy-5-methylphenyl)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidine-1-carboxamide (PubChem CID 47001143) has the molecular formula C17H21N3O3 and a molecular weight of 315.37 g/mol. Its IUPAC name is N-(2-methoxy-5-methylphenyl)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-(2-methoxy-5-methylphenyl)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidine-1-carboxamide
PubChem CID47001143
Molecular FormulaC17H21N3O3
Molecular Weight315.37 g/mol
Exact Mass315.16
IUPAC NameN-(2-methoxy-5-methylphenyl)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidine-1-carboxamide
SMILESCOc1ccc(C)cc1NC(=O)N1CCCC1c1cc(C)no1
InChIInChI=1S/C17H21N3O3/c1-11-6-7-15(22-3)13(9-11)18-17(21)20-8-4-5-14(20)16-10-12(2)19-23-16/h6-7,9-10,14H,4-5,8H2,1-3H3,(H,18,21)
InChIKeyDNJMYYIJNCSGGT-UHFFFAOYSA-N
XLogP3.67
TPSA67.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.37
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxy-5-methylphenyl)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidine-1-carboxamide?
The IUPAC name of N-(2-methoxy-5-methylphenyl)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidine-1-carboxamide (CID 47001143) is N-(2-methoxy-5-methylphenyl)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidine-1-carboxamide.
What is the SMILES notation for N-(2-methoxy-5-methylphenyl)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidine-1-carboxamide?
The canonical SMILES for N-(2-methoxy-5-methylphenyl)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidine-1-carboxamide is COc1ccc(C)cc1NC(=O)N1CCCC1c1cc(C)no1.
What is the InChIKey of N-(2-methoxy-5-methylphenyl)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidine-1-carboxamide?
The InChIKey is DNJMYYIJNCSGGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O3/c1-11-6-7-15(22-3)13(9-11)18-17(21)20-8-4-5-14(20)16-10-12(2)19-23-16/h6-7,9-10,14H,4-5,8H2,1-3H3,(H,18,21).
What are the key properties of N-(2-methoxy-5-methylphenyl)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidine-1-carboxamide?
N-(2-methoxy-5-methylphenyl)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidine-1-carboxamide has a molecular weight of 315.37 g/mol, XLogP of 3.67, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxy-5-methylphenyl)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 47001143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).