N-[2-(2-methoxyphenyl)ethyl]-2-[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]acetamide

C19H25N3O3 — CID 75461502

IUPACN-[2-(2-methoxyphenyl)ethyl]-2-[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]acetamide
SMILESCOc1ccccc1CCNC(=O)CN1CCCC1c1cc(C)no1
InChIInChI=1S/C19H25N3O3/c1-14-12-18(25-21-14)16-7-5-11-22(16)13-19(23)20-10-9-15-6-3-4-8-17(15)24-2/h3-4,6,8,12,16H,5,7,9-11,13H2,1-2H3,(H,20,23)
InChIKeyAAZWXOFCMYQMCS-UHFFFAOYSA-N
MW343.43 g/mol
LogP2.49
Rot. Bonds7

About N-[2-(2-methoxyphenyl)ethyl]-2-[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]acetamide

N-[2-(2-methoxyphenyl)ethyl]-2-[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]acetamide (PubChem CID 75461502) has the molecular formula C19H25N3O3 and a molecular weight of 343.43 g/mol. Its IUPAC name is N-[2-(2-methoxyphenyl)ethyl]-2-[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]acetamide.

Molecular Properties

Compound NameN-[2-(2-methoxyphenyl)ethyl]-2-[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]acetamide
PubChem CID75461502
Molecular FormulaC19H25N3O3
Molecular Weight343.43 g/mol
Exact Mass343.19
IUPAC NameN-[2-(2-methoxyphenyl)ethyl]-2-[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]acetamide
SMILESCOc1ccccc1CCNC(=O)CN1CCCC1c1cc(C)no1
InChIInChI=1S/C19H25N3O3/c1-14-12-18(25-21-14)16-7-5-11-22(16)13-19(23)20-10-9-15-6-3-4-8-17(15)24-2/h3-4,6,8,12,16H,5,7,9-11,13H2,1-2H3,(H,20,23)
InChIKeyAAZWXOFCMYQMCS-UHFFFAOYSA-N
XLogP2.49
TPSA67.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methoxyphenyl)ethyl]-2-[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]acetamide?
The IUPAC name of N-[2-(2-methoxyphenyl)ethyl]-2-[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]acetamide (CID 75461502) is N-[2-(2-methoxyphenyl)ethyl]-2-[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]acetamide.
What is the SMILES notation for N-[2-(2-methoxyphenyl)ethyl]-2-[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]acetamide?
The canonical SMILES for N-[2-(2-methoxyphenyl)ethyl]-2-[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]acetamide is COc1ccccc1CCNC(=O)CN1CCCC1c1cc(C)no1.
What is the InChIKey of N-[2-(2-methoxyphenyl)ethyl]-2-[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]acetamide?
The InChIKey is AAZWXOFCMYQMCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O3/c1-14-12-18(25-21-14)16-7-5-11-22(16)13-19(23)20-10-9-15-6-3-4-8-17(15)24-2/h3-4,6,8,12,16H,5,7,9-11,13H2,1-2H3,(H,20,23).
What are the key properties of N-[2-(2-methoxyphenyl)ethyl]-2-[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]acetamide?
N-[2-(2-methoxyphenyl)ethyl]-2-[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]acetamide has a molecular weight of 343.43 g/mol, XLogP of 2.49, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methoxyphenyl)ethyl]-2-[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]acetamide is sourced from PubChem (CID 75461502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).