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

C22H31N3O4 — CID 25364429

IUPAC3-[5-[2-(4-methoxyphenyl)ethyl]-1,3,4-oxadiazol-2-yl]-N-[[(2R)-oxolan-2-yl]methyl]-N-propylpropanamide
SMILESCCCN(C[C@H]1CCCO1)C(=O)CCc1nnc(CCc2ccc(OC)cc2)o1
InChIInChI=1S/C22H31N3O4/c1-3-14-25(16-19-5-4-15-28-19)22(26)13-12-21-24-23-20(29-21)11-8-17-6-9-18(27-2)10-7-17/h6-7,9-10,19H,3-5,8,11-16H2,1-2H3/t19-/m1/s1
InChIKeyUKAFUAHBVFSCGB-LJQANCHMSA-N
MW401.51 g/mol
LogP3.21
Rot. Bonds11

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

3-[5-[2-(4-methoxyphenyl)ethyl]-1,3,4-oxadiazol-2-yl]-N-[[(2R)-oxolan-2-yl]methyl]-N-propylpropanamide (PubChem CID 25364429) has the molecular formula C22H31N3O4 and a molecular weight of 401.51 g/mol. Its IUPAC name is 3-[5-[2-(4-methoxyphenyl)ethyl]-1,3,4-oxadiazol-2-yl]-N-[[(2R)-oxolan-2-yl]methyl]-N-propylpropanamide.

Molecular Properties

Compound Name3-[5-[2-(4-methoxyphenyl)ethyl]-1,3,4-oxadiazol-2-yl]-N-[[(2R)-oxolan-2-yl]methyl]-N-propylpropanamide
PubChem CID25364429
Molecular FormulaC22H31N3O4
Molecular Weight401.51 g/mol
Exact Mass401.23
IUPAC Name3-[5-[2-(4-methoxyphenyl)ethyl]-1,3,4-oxadiazol-2-yl]-N-[[(2R)-oxolan-2-yl]methyl]-N-propylpropanamide
SMILESCCCN(C[C@H]1CCCO1)C(=O)CCc1nnc(CCc2ccc(OC)cc2)o1
InChIInChI=1S/C22H31N3O4/c1-3-14-25(16-19-5-4-15-28-19)22(26)13-12-21-24-23-20(29-21)11-8-17-6-9-18(27-2)10-7-17/h6-7,9-10,19H,3-5,8,11-16H2,1-2H3/t19-/m1/s1
InChIKeyUKAFUAHBVFSCGB-LJQANCHMSA-N
XLogP3.21
TPSA77.69 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.51
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-[5-[2-(4-methoxyphenyl)ethyl]-1,3,4-oxadiazol-2-yl]-N-(oxolan-2-ylmethyl)-N-propylpropanamide
CID 24790274
3-[5-[2-(4-methoxyphenyl)ethyl]-1,3,4-oxadiazol-2-yl]-N-methyl-N-[[(2R)-oxan-2-yl]methyl]propanamide
CID 42095937
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
N-[(4-methoxyphenyl)methyl]-3-(2-methylpyrazol-3-yl)-N-[[(2S)-oxolan-2-yl]methyl]propanamide
CID 99929919
3-[acetyl(oxolan-2-ylmethyl)amino]-N-[2-(4-methoxyphenyl)ethyl]propanamide
CID 113117294
4-methoxy-N,N-bis[[(2S)-oxolan-2-yl]methyl]benzamide
CID 94815353
N-[1-(4-methoxyphenyl)ethyl]-3-[5-[2-(4-methoxyphenyl)ethyl]-1,3,4-oxadiazol-2-yl]-N-methylpropanamide
CID 45212918
N-[2-(4-methoxyphenyl)ethyl]-N'-(oxolan-2-ylmethyl)-N'-propylethane-1,2-diamine
CID 70585508
1-[(2R)-2-ethylpiperidin-1-yl]-3-[5-[2-(4-methoxyphenyl)ethyl]-1,3,4-oxadiazol-2-yl]propan-1-one
CID 42461294
N-[2-(4-methoxyphenyl)ethyl]-2,6-dimethyl-N-(oxolan-2-ylmethyl)pyrimidine-4-carboxamide
CID 131939873
N-[2-(4-methoxyphenyl)ethyl]-2,5-dimethyl-N-(oxolan-2-ylmethyl)-1,3-thiazole-4-carboxamide
CID 77089111

Frequently Asked Questions

What is the IUPAC name of 3-[5-[2-(4-methoxyphenyl)ethyl]-1,3,4-oxadiazol-2-yl]-N-[[(2R)-oxolan-2-yl]methyl]-N-propylpropanamide?
The IUPAC name of 3-[5-[2-(4-methoxyphenyl)ethyl]-1,3,4-oxadiazol-2-yl]-N-[[(2R)-oxolan-2-yl]methyl]-N-propylpropanamide (CID 25364429) is 3-[5-[2-(4-methoxyphenyl)ethyl]-1,3,4-oxadiazol-2-yl]-N-[[(2R)-oxolan-2-yl]methyl]-N-propylpropanamide.
What is the SMILES notation for 3-[5-[2-(4-methoxyphenyl)ethyl]-1,3,4-oxadiazol-2-yl]-N-[[(2R)-oxolan-2-yl]methyl]-N-propylpropanamide?
The canonical SMILES for 3-[5-[2-(4-methoxyphenyl)ethyl]-1,3,4-oxadiazol-2-yl]-N-[[(2R)-oxolan-2-yl]methyl]-N-propylpropanamide is CCCN(C[C@H]1CCCO1)C(=O)CCc1nnc(CCc2ccc(OC)cc2)o1.
What is the InChIKey of 3-[5-[2-(4-methoxyphenyl)ethyl]-1,3,4-oxadiazol-2-yl]-N-[[(2R)-oxolan-2-yl]methyl]-N-propylpropanamide?
The InChIKey is UKAFUAHBVFSCGB-LJQANCHMSA-N. The full InChI is InChI=1S/C22H31N3O4/c1-3-14-25(16-19-5-4-15-28-19)22(26)13-12-21-24-23-20(29-21)11-8-17-6-9-18(27-2)10-7-17/h6-7,9-10,19H,3-5,8,11-16H2,1-2H3/t19-/m1/s1.
What are the key properties of 3-[5-[2-(4-methoxyphenyl)ethyl]-1,3,4-oxadiazol-2-yl]-N-[[(2R)-oxolan-2-yl]methyl]-N-propylpropanamide?
3-[5-[2-(4-methoxyphenyl)ethyl]-1,3,4-oxadiazol-2-yl]-N-[[(2R)-oxolan-2-yl]methyl]-N-propylpropanamide has a molecular weight of 401.51 g/mol, XLogP of 3.21, 11 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-[[(2R)-oxolan-2-yl]methyl]-N-propylpropanamide is sourced from PubChem (CID 25364429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).