N-ethyl-N-[[(2S)-oxolan-2-yl]methyl]-3-[5-(3-phenylpropyl)-1,3,4-oxadiazol-2-yl]propanamide

C21H29N3O3 — CID 42393532

IUPACN-ethyl-N-[[(2S)-oxolan-2-yl]methyl]-3-[5-(3-phenylpropyl)-1,3,4-oxadiazol-2-yl]propanamide
SMILESCCN(C[C@@H]1CCCO1)C(=O)CCc1nnc(CCCc2ccccc2)o1
InChIInChI=1S/C21H29N3O3/c1-2-24(16-18-11-7-15-26-18)21(25)14-13-20-23-22-19(27-20)12-6-10-17-8-4-3-5-9-17/h3-5,8-9,18H,2,6-7,10-16H2,1H3/t18-/m0/s1
InChIKeyIWWHQNMUDARMBR-SFHVURJKSA-N
MW371.48 g/mol
LogP3.20
Rot. Bonds10

About N-ethyl-N-[[(2S)-oxolan-2-yl]methyl]-3-[5-(3-phenylpropyl)-1,3,4-oxadiazol-2-yl]propanamide

N-ethyl-N-[[(2S)-oxolan-2-yl]methyl]-3-[5-(3-phenylpropyl)-1,3,4-oxadiazol-2-yl]propanamide (PubChem CID 42393532) has the molecular formula C21H29N3O3 and a molecular weight of 371.48 g/mol. Its IUPAC name is N-ethyl-N-[[(2S)-oxolan-2-yl]methyl]-3-[5-(3-phenylpropyl)-1,3,4-oxadiazol-2-yl]propanamide.

Molecular Properties

Compound NameN-ethyl-N-[[(2S)-oxolan-2-yl]methyl]-3-[5-(3-phenylpropyl)-1,3,4-oxadiazol-2-yl]propanamide
PubChem CID42393532
Molecular FormulaC21H29N3O3
Molecular Weight371.48 g/mol
Exact Mass371.22
IUPAC NameN-ethyl-N-[[(2S)-oxolan-2-yl]methyl]-3-[5-(3-phenylpropyl)-1,3,4-oxadiazol-2-yl]propanamide
SMILESCCN(C[C@@H]1CCCO1)C(=O)CCc1nnc(CCCc2ccccc2)o1
InChIInChI=1S/C21H29N3O3/c1-2-24(16-18-11-7-15-26-18)21(25)14-13-20-23-22-19(27-20)12-6-10-17-8-4-3-5-9-17/h3-5,8-9,18H,2,6-7,10-16H2,1H3/t18-/m0/s1
InChIKeyIWWHQNMUDARMBR-SFHVURJKSA-N
XLogP3.20
TPSA68.46 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.48
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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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-(5-acetylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]-N-ethyl-N-[[(2S)-oxolan-2-yl]methyl]propanamide
CID 42158404
4-[3-[benzyl(oxolan-2-ylmethyl)amino]-3-oxopropyl]benzoic acid
CID 119182305
N-[2-[(2S)-oxan-2-yl]ethyl]-3-[5-(4-phenylbutyl)-1,3,4-oxadiazol-2-yl]propanamide
CID 42414995
(2S)-2-amino-N-ethyl-N-(oxolan-2-ylmethyl)-4-phenylbutanamide
CID 104984220
3-(2-chlorophenyl)-N-ethyl-N-(oxan-2-ylmethyl)propanamide
CID 91786141
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-2-(3-hydroxyphenyl)-N-(oxolan-2-ylmethyl)acetamide
CID 61435069
3-amino-N-benzyl-N-(oxolan-2-ylmethyl)propanamide;hydrochloride
CID 119302483
N-ethyl-N-(oxolan-2-ylmethyl)-3-sulfanylpropanamide
CID 107024574
4-amino-N-benzyl-N-(oxolan-2-ylmethyl)pentanamide
CID 120561181

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[[(2S)-oxolan-2-yl]methyl]-3-[5-(3-phenylpropyl)-1,3,4-oxadiazol-2-yl]propanamide?
The IUPAC name of N-ethyl-N-[[(2S)-oxolan-2-yl]methyl]-3-[5-(3-phenylpropyl)-1,3,4-oxadiazol-2-yl]propanamide (CID 42393532) is N-ethyl-N-[[(2S)-oxolan-2-yl]methyl]-3-[5-(3-phenylpropyl)-1,3,4-oxadiazol-2-yl]propanamide.
What is the SMILES notation for N-ethyl-N-[[(2S)-oxolan-2-yl]methyl]-3-[5-(3-phenylpropyl)-1,3,4-oxadiazol-2-yl]propanamide?
The canonical SMILES for N-ethyl-N-[[(2S)-oxolan-2-yl]methyl]-3-[5-(3-phenylpropyl)-1,3,4-oxadiazol-2-yl]propanamide is CCN(C[C@@H]1CCCO1)C(=O)CCc1nnc(CCCc2ccccc2)o1.
What is the InChIKey of N-ethyl-N-[[(2S)-oxolan-2-yl]methyl]-3-[5-(3-phenylpropyl)-1,3,4-oxadiazol-2-yl]propanamide?
The InChIKey is IWWHQNMUDARMBR-SFHVURJKSA-N. The full InChI is InChI=1S/C21H29N3O3/c1-2-24(16-18-11-7-15-26-18)21(25)14-13-20-23-22-19(27-20)12-6-10-17-8-4-3-5-9-17/h3-5,8-9,18H,2,6-7,10-16H2,1H3/t18-/m0/s1.
What are the key properties of N-ethyl-N-[[(2S)-oxolan-2-yl]methyl]-3-[5-(3-phenylpropyl)-1,3,4-oxadiazol-2-yl]propanamide?
N-ethyl-N-[[(2S)-oxolan-2-yl]methyl]-3-[5-(3-phenylpropyl)-1,3,4-oxadiazol-2-yl]propanamide has a molecular weight of 371.48 g/mol, XLogP of 3.20, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[[(2S)-oxolan-2-yl]methyl]-3-[5-(3-phenylpropyl)-1,3,4-oxadiazol-2-yl]propanamide is sourced from PubChem (CID 42393532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).