3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]propanamide

C21H29N3O3 — CID 78791262

IUPAC3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]propanamide
SMILESCOc1ccccc1C(CNC(=O)CCc1c(C)noc1C)N1CCCC1
InChIInChI=1S/C21H29N3O3/c1-15-17(16(2)27-23-15)10-11-21(25)22-14-19(24-12-6-7-13-24)18-8-4-5-9-20(18)26-3/h4-5,8-9,19H,6-7,10-14H2,1-3H3,(H,22,25)
InChIKeyXRVADFJLSFPSMR-UHFFFAOYSA-N
MW371.48 g/mol
LogP3.19
Rot. Bonds8

About 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]propanamide

3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]propanamide (PubChem CID 78791262) has the molecular formula C21H29N3O3 and a molecular weight of 371.48 g/mol. Its IUPAC name is 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]propanamide.

Molecular Properties

Compound Name3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]propanamide
PubChem CID78791262
Molecular FormulaC21H29N3O3
Molecular Weight371.48 g/mol
Exact Mass371.22
IUPAC Name3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]propanamide
SMILESCOc1ccccc1C(CNC(=O)CCc1c(C)noc1C)N1CCCC1
InChIInChI=1S/C21H29N3O3/c1-15-17(16(2)27-23-15)10-11-21(25)22-14-19(24-12-6-7-13-24)18-8-4-5-9-20(18)26-3/h4-5,8-9,19H,6-7,10-14H2,1-3H3,(H,22,25)
InChIKeyXRVADFJLSFPSMR-UHFFFAOYSA-N
XLogP3.19
TPSA67.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.48
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(2R)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]propanamide
CID 31703237
1-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-ethyl-2-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]guanidine;hydroiodide
CID 111765676
N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanamide
CID 55450501
N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanamide
CID 43019781
3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-methoxy-2-(2-methylphenyl)ethyl]propanamide
CID 90598726
N-[2-(2-methoxyphenyl)-2-piperidin-1-ylethyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
CID 60533854
N-[2-(2-methoxyphenyl)-2-piperidin-1-ylethyl]-2-(methylamino)acetamide
CID 120703941
3-(1H-indol-3-yl)-N-[(2S)-2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]propanamide
CID 2552209
2-(2-methoxyphenoxy)-N-[2-(2-methylphenyl)-2-pyrrolidin-1-ylethyl]acetamide
CID 112506458
N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-4-(5-phenyl-1,3,4-oxadiazol-2-yl)butanamide
CID 55691550
2-(2-fluorophenyl)-N-[(2S)-2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]acetamide
CID 34936220
N-[2-[[(2S)-2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]amino]-2-oxoethyl]benzamide
CID 34937128

Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]propanamide?
The IUPAC name of 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]propanamide (CID 78791262) is 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]propanamide.
What is the SMILES notation for 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]propanamide?
The canonical SMILES for 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]propanamide is COc1ccccc1C(CNC(=O)CCc1c(C)noc1C)N1CCCC1.
What is the InChIKey of 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]propanamide?
The InChIKey is XRVADFJLSFPSMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N3O3/c1-15-17(16(2)27-23-15)10-11-21(25)22-14-19(24-12-6-7-13-24)18-8-4-5-9-20(18)26-3/h4-5,8-9,19H,6-7,10-14H2,1-3H3,(H,22,25).
What are the key properties of 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]propanamide?
3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]propanamide has a molecular weight of 371.48 g/mol, XLogP of 3.19, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]propanamide is sourced from PubChem (CID 78791262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).