N-(2-methoxyethyl)-N-[[3-(3-methylphenyl)-5-pyrrolidin-1-yl-1,2-oxazol-4-yl]methyl]propanamide

C21H29N3O3 — CID 46018961

IUPACN-(2-methoxyethyl)-N-[[3-(3-methylphenyl)-5-pyrrolidin-1-yl-1,2-oxazol-4-yl]methyl]propanamide
SMILESCCC(=O)N(CCOC)Cc1c(-c2cccc(C)c2)noc1N1CCCC1
InChIInChI=1S/C21H29N3O3/c1-4-19(25)24(12-13-26-3)15-18-20(17-9-7-8-16(2)14-17)22-27-21(18)23-10-5-6-11-23/h7-9,14H,4-6,10-13,15H2,1-3H3
InChIKeyLQNWBYXKPTZWHR-UHFFFAOYSA-N
MW371.48 g/mol
LogP3.64
Rot. Bonds8

About N-(2-methoxyethyl)-N-[[3-(3-methylphenyl)-5-pyrrolidin-1-yl-1,2-oxazol-4-yl]methyl]propanamide

N-(2-methoxyethyl)-N-[[3-(3-methylphenyl)-5-pyrrolidin-1-yl-1,2-oxazol-4-yl]methyl]propanamide (PubChem CID 46018961) has the molecular formula C21H29N3O3 and a molecular weight of 371.48 g/mol. Its IUPAC name is N-(2-methoxyethyl)-N-[[3-(3-methylphenyl)-5-pyrrolidin-1-yl-1,2-oxazol-4-yl]methyl]propanamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-N-[[3-(3-methylphenyl)-5-pyrrolidin-1-yl-1,2-oxazol-4-yl]methyl]propanamide
PubChem CID46018961
Molecular FormulaC21H29N3O3
Molecular Weight371.48 g/mol
Exact Mass371.22
IUPAC NameN-(2-methoxyethyl)-N-[[3-(3-methylphenyl)-5-pyrrolidin-1-yl-1,2-oxazol-4-yl]methyl]propanamide
SMILESCCC(=O)N(CCOC)Cc1c(-c2cccc(C)c2)noc1N1CCCC1
InChIInChI=1S/C21H29N3O3/c1-4-19(25)24(12-13-26-3)15-18-20(17-9-7-8-16(2)14-17)22-27-21(18)23-10-5-6-11-23/h7-9,14H,4-6,10-13,15H2,1-3H3
InChIKeyLQNWBYXKPTZWHR-UHFFFAOYSA-N
XLogP3.64
TPSA58.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.48
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-N-[[3-(3-methylphenyl)-5-pyrrolidin-1-yl-1,2-oxazol-4-yl]methyl]propanamide?
The IUPAC name of N-(2-methoxyethyl)-N-[[3-(3-methylphenyl)-5-pyrrolidin-1-yl-1,2-oxazol-4-yl]methyl]propanamide (CID 46018961) is N-(2-methoxyethyl)-N-[[3-(3-methylphenyl)-5-pyrrolidin-1-yl-1,2-oxazol-4-yl]methyl]propanamide.
What is the SMILES notation for N-(2-methoxyethyl)-N-[[3-(3-methylphenyl)-5-pyrrolidin-1-yl-1,2-oxazol-4-yl]methyl]propanamide?
The canonical SMILES for N-(2-methoxyethyl)-N-[[3-(3-methylphenyl)-5-pyrrolidin-1-yl-1,2-oxazol-4-yl]methyl]propanamide is CCC(=O)N(CCOC)Cc1c(-c2cccc(C)c2)noc1N1CCCC1.
What is the InChIKey of N-(2-methoxyethyl)-N-[[3-(3-methylphenyl)-5-pyrrolidin-1-yl-1,2-oxazol-4-yl]methyl]propanamide?
The InChIKey is LQNWBYXKPTZWHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N3O3/c1-4-19(25)24(12-13-26-3)15-18-20(17-9-7-8-16(2)14-17)22-27-21(18)23-10-5-6-11-23/h7-9,14H,4-6,10-13,15H2,1-3H3.
What are the key properties of N-(2-methoxyethyl)-N-[[3-(3-methylphenyl)-5-pyrrolidin-1-yl-1,2-oxazol-4-yl]methyl]propanamide?
N-(2-methoxyethyl)-N-[[3-(3-methylphenyl)-5-pyrrolidin-1-yl-1,2-oxazol-4-yl]methyl]propanamide has a molecular weight of 371.48 g/mol, XLogP of 3.64, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-N-[[3-(3-methylphenyl)-5-pyrrolidin-1-yl-1,2-oxazol-4-yl]methyl]propanamide is sourced from PubChem (CID 46018961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).