3-[5-[2-(4-methoxyphenyl)ethyl]-1,3,4-oxadiazol-2-yl]-N-methyl-N-[[(2R)-oxan-2-yl]methyl]propanamide

C21H29N3O4 — CID 42095937

IUPAC3-[5-[2-(4-methoxyphenyl)ethyl]-1,3,4-oxadiazol-2-yl]-N-methyl-N-[[(2R)-oxan-2-yl]methyl]propanamide
SMILESCOc1ccc(CCc2nnc(CCC(=O)N(C)C[C@H]3CCCCO3)o2)cc1
InChIInChI=1S/C21H29N3O4/c1-24(15-18-5-3-4-14-27-18)21(25)13-12-20-23-22-19(28-20)11-8-16-6-9-17(26-2)10-7-16/h6-7,9-10,18H,3-5,8,11-15H2,1-2H3/t18-/m1/s1
InChIKeyJCLKXOCOIDHCBV-GOSISDBHSA-N
MW387.48 g/mol
LogP2.82
Rot. Bonds9

About 3-[5-[2-(4-methoxyphenyl)ethyl]-1,3,4-oxadiazol-2-yl]-N-methyl-N-[[(2R)-oxan-2-yl]methyl]propanamide

3-[5-[2-(4-methoxyphenyl)ethyl]-1,3,4-oxadiazol-2-yl]-N-methyl-N-[[(2R)-oxan-2-yl]methyl]propanamide (PubChem CID 42095937) has the molecular formula C21H29N3O4 and a molecular weight of 387.48 g/mol. Its IUPAC name is 3-[5-[2-(4-methoxyphenyl)ethyl]-1,3,4-oxadiazol-2-yl]-N-methyl-N-[[(2R)-oxan-2-yl]methyl]propanamide.

Molecular Properties

Compound Name3-[5-[2-(4-methoxyphenyl)ethyl]-1,3,4-oxadiazol-2-yl]-N-methyl-N-[[(2R)-oxan-2-yl]methyl]propanamide
PubChem CID42095937
Molecular FormulaC21H29N3O4
Molecular Weight387.48 g/mol
Exact Mass387.22
IUPAC Name3-[5-[2-(4-methoxyphenyl)ethyl]-1,3,4-oxadiazol-2-yl]-N-methyl-N-[[(2R)-oxan-2-yl]methyl]propanamide
SMILESCOc1ccc(CCc2nnc(CCC(=O)N(C)C[C@H]3CCCCO3)o2)cc1
InChIInChI=1S/C21H29N3O4/c1-24(15-18-5-3-4-14-27-18)21(25)13-12-20-23-22-19(28-20)11-8-16-6-9-17(26-2)10-7-16/h6-7,9-10,18H,3-5,8,11-15H2,1-2H3/t18-/m1/s1
InChIKeyJCLKXOCOIDHCBV-GOSISDBHSA-N
XLogP2.82
TPSA77.69 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.48
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 3-[5-[2-(4-methoxyphenyl)ethyl]-1,3,4-oxadiazol-2-yl]-N-methyl-N-[[(2R)-oxan-2-yl]methyl]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-[5-[2-(4-methoxyphenyl)ethyl]-1,3,4-oxadiazol-2-yl]-N-[[(2R)-oxolan-2-yl]methyl]-N-propylpropanamide
CID 25364429
3-[5-[2-(4-methoxyphenyl)ethyl]-1,3,4-oxadiazol-2-yl]-N-(oxolan-2-ylmethyl)-N-propylpropanamide
CID 24790274
3-[5-[2-(1H-indol-3-yl)ethyl]-1,3,4-oxadiazol-2-yl]-N-methyl-N-[[(2R)-oxan-2-yl]methyl]propanamide
CID 42564953
3-[5-[2-(1H-indol-3-yl)ethyl]-1,3,4-oxadiazol-2-yl]-N-methyl-N-(oxan-2-ylmethyl)propanamide
CID 45218078
4-[3-[methyl-[[(2R)-oxolan-2-yl]methyl]amino]-3-oxopropyl]benzoic acid
CID 124686880
3-[5-[2-(4-methoxyphenyl)ethyl]-1,3,4-oxadiazol-2-yl]-N-methyl-N-(2-phenoxyethyl)propanamide
CID 26323678
N-[1-(4-methoxyphenyl)ethyl]-3-[5-[2-(4-methoxyphenyl)ethyl]-1,3,4-oxadiazol-2-yl]-N-methylpropanamide
CID 45212918
3-[5-[2-(3-methoxyphenyl)ethyl]-1,3,4-oxadiazol-2-yl]-N-[2-[(2S)-oxan-2-yl]ethyl]propanamide
CID 42392793
3-(4-methoxyphenyl)-N-methyl-N-[(4-methylmorpholin-2-yl)methyl]propanamide
CID 110710544
N-ethyl-N-[[(2S)-oxolan-2-yl]methyl]-3-[5-(3-phenylpropyl)-1,3,4-oxadiazol-2-yl]propanamide
CID 42393532
3-(4-methoxyphenyl)-N-[(2-methoxyphenyl)methyl]-N-(oxolan-2-ylmethyl)propanamide
CID 55968507
1-[(2R)-2-ethylpiperidin-1-yl]-3-[5-[2-(4-methoxyphenyl)ethyl]-1,3,4-oxadiazol-2-yl]propan-1-one
CID 42461294

Frequently Asked Questions

What is the IUPAC name of 3-[5-[2-(4-methoxyphenyl)ethyl]-1,3,4-oxadiazol-2-yl]-N-methyl-N-[[(2R)-oxan-2-yl]methyl]propanamide?
The IUPAC name of 3-[5-[2-(4-methoxyphenyl)ethyl]-1,3,4-oxadiazol-2-yl]-N-methyl-N-[[(2R)-oxan-2-yl]methyl]propanamide (CID 42095937) is 3-[5-[2-(4-methoxyphenyl)ethyl]-1,3,4-oxadiazol-2-yl]-N-methyl-N-[[(2R)-oxan-2-yl]methyl]propanamide.
What is the SMILES notation for 3-[5-[2-(4-methoxyphenyl)ethyl]-1,3,4-oxadiazol-2-yl]-N-methyl-N-[[(2R)-oxan-2-yl]methyl]propanamide?
The canonical SMILES for 3-[5-[2-(4-methoxyphenyl)ethyl]-1,3,4-oxadiazol-2-yl]-N-methyl-N-[[(2R)-oxan-2-yl]methyl]propanamide is COc1ccc(CCc2nnc(CCC(=O)N(C)C[C@H]3CCCCO3)o2)cc1.
What is the InChIKey of 3-[5-[2-(4-methoxyphenyl)ethyl]-1,3,4-oxadiazol-2-yl]-N-methyl-N-[[(2R)-oxan-2-yl]methyl]propanamide?
The InChIKey is JCLKXOCOIDHCBV-GOSISDBHSA-N. The full InChI is InChI=1S/C21H29N3O4/c1-24(15-18-5-3-4-14-27-18)21(25)13-12-20-23-22-19(28-20)11-8-16-6-9-17(26-2)10-7-16/h6-7,9-10,18H,3-5,8,11-15H2,1-2H3/t18-/m1/s1.
What are the key properties of 3-[5-[2-(4-methoxyphenyl)ethyl]-1,3,4-oxadiazol-2-yl]-N-methyl-N-[[(2R)-oxan-2-yl]methyl]propanamide?
3-[5-[2-(4-methoxyphenyl)ethyl]-1,3,4-oxadiazol-2-yl]-N-methyl-N-[[(2R)-oxan-2-yl]methyl]propanamide has a molecular weight of 387.48 g/mol, XLogP of 2.82, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-[2-(4-methoxyphenyl)ethyl]-1,3,4-oxadiazol-2-yl]-N-methyl-N-[[(2R)-oxan-2-yl]methyl]propanamide is sourced from PubChem (CID 42095937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).