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

C18H23N3O4S — CID 42158404

IUPAC3-[5-(5-acetylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]-N-ethyl-N-[[(2S)-oxolan-2-yl]methyl]propanamide
SMILESCCN(C[C@@H]1CCCO1)C(=O)CCc1nnc(-c2ccc(C(C)=O)s2)o1
InChIInChI=1S/C18H23N3O4S/c1-3-21(11-13-5-4-10-24-13)17(23)9-8-16-19-20-18(25-16)15-7-6-14(26-15)12(2)22/h6-7,13H,3-5,8-11H2,1-2H3/t13-/m0/s1
InChIKeySYPKDJYTAYPBOK-ZDUSSCGKSA-N
MW377.47 g/mol
LogP2.96
Rot. Bonds8

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

3-[5-(5-acetylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]-N-ethyl-N-[[(2S)-oxolan-2-yl]methyl]propanamide (PubChem CID 42158404) has the molecular formula C18H23N3O4S and a molecular weight of 377.47 g/mol. Its IUPAC name is 3-[5-(5-acetylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]-N-ethyl-N-[[(2S)-oxolan-2-yl]methyl]propanamide.

Molecular Properties

Compound Name3-[5-(5-acetylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]-N-ethyl-N-[[(2S)-oxolan-2-yl]methyl]propanamide
PubChem CID42158404
Molecular FormulaC18H23N3O4S
Molecular Weight377.47 g/mol
Exact Mass377.14
IUPAC Name3-[5-(5-acetylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]-N-ethyl-N-[[(2S)-oxolan-2-yl]methyl]propanamide
SMILESCCN(C[C@@H]1CCCO1)C(=O)CCc1nnc(-c2ccc(C(C)=O)s2)o1
InChIInChI=1S/C18H23N3O4S/c1-3-21(11-13-5-4-10-24-13)17(23)9-8-16-19-20-18(25-16)15-7-6-14(26-15)12(2)22/h6-7,13H,3-5,8-11H2,1-2H3/t13-/m0/s1
InChIKeySYPKDJYTAYPBOK-ZDUSSCGKSA-N
XLogP2.96
TPSA85.53 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.47
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

N-ethyl-N-[[(2S)-oxolan-2-yl]methyl]-3-[5-(3-phenylpropyl)-1,3,4-oxadiazol-2-yl]propanamide
CID 42393532
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-(2-chlorophenyl)-N-ethyl-N-(oxan-2-ylmethyl)propanamide
CID 91786141
N-[[(2S)-oxolan-2-yl]methyl]-N-(pyridin-3-ylmethyl)-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanamide
CID 94628646
N-ethyl-N-(oxolan-2-ylmethyl)-3-sulfanylpropanamide
CID 107024574
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-[[(3R)-oxolan-3-yl]methyl]-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanamide
CID 94181333
6-amino-N-ethyl-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide
CID 62161209
N-(oxolan-2-ylmethyl)-3-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)propanamide
CID 110335177
3-[acetyl(oxolan-2-ylmethyl)amino]-N,N-diethylpropanamide
CID 113117319
N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)butanamide
CID 60717923

Frequently Asked Questions

What is the IUPAC name of 3-[5-(5-acetylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]-N-ethyl-N-[[(2S)-oxolan-2-yl]methyl]propanamide?
The IUPAC name of 3-[5-(5-acetylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]-N-ethyl-N-[[(2S)-oxolan-2-yl]methyl]propanamide (CID 42158404) is 3-[5-(5-acetylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]-N-ethyl-N-[[(2S)-oxolan-2-yl]methyl]propanamide.
What is the SMILES notation for 3-[5-(5-acetylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]-N-ethyl-N-[[(2S)-oxolan-2-yl]methyl]propanamide?
The canonical SMILES for 3-[5-(5-acetylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]-N-ethyl-N-[[(2S)-oxolan-2-yl]methyl]propanamide is CCN(C[C@@H]1CCCO1)C(=O)CCc1nnc(-c2ccc(C(C)=O)s2)o1.
What is the InChIKey of 3-[5-(5-acetylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]-N-ethyl-N-[[(2S)-oxolan-2-yl]methyl]propanamide?
The InChIKey is SYPKDJYTAYPBOK-ZDUSSCGKSA-N. The full InChI is InChI=1S/C18H23N3O4S/c1-3-21(11-13-5-4-10-24-13)17(23)9-8-16-19-20-18(25-16)15-7-6-14(26-15)12(2)22/h6-7,13H,3-5,8-11H2,1-2H3/t13-/m0/s1.
What are the key properties of 3-[5-(5-acetylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]-N-ethyl-N-[[(2S)-oxolan-2-yl]methyl]propanamide?
3-[5-(5-acetylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]-N-ethyl-N-[[(2S)-oxolan-2-yl]methyl]propanamide has a molecular weight of 377.47 g/mol, XLogP of 2.96, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(5-acetylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]-N-ethyl-N-[[(2S)-oxolan-2-yl]methyl]propanamide is sourced from PubChem (CID 42158404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).