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

C16H21N3O3S — CID 94181333

IUPACN-ethyl-N-[[(3R)-oxolan-3-yl]methyl]-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanamide
SMILESCCN(C[C@H]1CCOC1)C(=O)CCc1nnc(-c2ccsc2)o1
InChIInChI=1S/C16H21N3O3S/c1-2-19(9-12-5-7-21-10-12)15(20)4-3-14-17-18-16(22-14)13-6-8-23-11-13/h6,8,11-12H,2-5,7,9-10H2,1H3/t12-/m1/s1
InChIKeyNKOWFTRVOHLUHI-GFCCVEGCSA-N
MW335.43 g/mol
LogP2.62
Rot. Bonds7

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

N-ethyl-N-[[(3R)-oxolan-3-yl]methyl]-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanamide (PubChem CID 94181333) has the molecular formula C16H21N3O3S and a molecular weight of 335.43 g/mol. Its IUPAC name is N-ethyl-N-[[(3R)-oxolan-3-yl]methyl]-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanamide.

Molecular Properties

Compound NameN-ethyl-N-[[(3R)-oxolan-3-yl]methyl]-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanamide
PubChem CID94181333
Molecular FormulaC16H21N3O3S
Molecular Weight335.43 g/mol
Exact Mass335.13
IUPAC NameN-ethyl-N-[[(3R)-oxolan-3-yl]methyl]-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanamide
SMILESCCN(C[C@H]1CCOC1)C(=O)CCc1nnc(-c2ccsc2)o1
InChIInChI=1S/C16H21N3O3S/c1-2-19(9-12-5-7-21-10-12)15(20)4-3-14-17-18-16(22-14)13-6-8-23-11-13/h6,8,11-12H,2-5,7,9-10H2,1H3/t12-/m1/s1
InChIKeyNKOWFTRVOHLUHI-GFCCVEGCSA-N
XLogP2.62
TPSA68.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.43
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-ethyl-N-phenyl-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanamide
CID 51076251
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CID 51082586
N-ethyl-3-(4-methyl-5-phenyl-1,3-oxazol-2-yl)-N-[[(3R)-oxolan-3-yl]methyl]propanamide
CID 95287110
N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-ethyl-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanamide
CID 38035098
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-[(4-cyanophenyl)methyl]-N-propyl-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanamide
CID 55594478
2-methyl-3-[methyl-[3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanoyl]amino]propanoic acid
CID 119228121
1-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propan-1-one
CID 38009868
N-[2-(4-chlorophenyl)ethyl]-N-(cyclopropylmethyl)-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanamide
CID 86963374
1-(3-cyclopropyl-3-methylmorpholin-4-yl)-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propan-1-one
CID 136567871
N-ethyl-N-(oxolan-3-ylmethyl)-3-(2-oxo-3-propylbenzimidazol-1-yl)propanamide
CID 55745103
N-(furan-2-ylmethyl)-N-[(5-methylthiophen-2-yl)methyl]-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanamide
CID 48866094

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[[(3R)-oxolan-3-yl]methyl]-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanamide?
The IUPAC name of N-ethyl-N-[[(3R)-oxolan-3-yl]methyl]-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanamide (CID 94181333) is N-ethyl-N-[[(3R)-oxolan-3-yl]methyl]-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanamide.
What is the SMILES notation for N-ethyl-N-[[(3R)-oxolan-3-yl]methyl]-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanamide?
The canonical SMILES for N-ethyl-N-[[(3R)-oxolan-3-yl]methyl]-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanamide is CCN(C[C@H]1CCOC1)C(=O)CCc1nnc(-c2ccsc2)o1.
What is the InChIKey of N-ethyl-N-[[(3R)-oxolan-3-yl]methyl]-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanamide?
The InChIKey is NKOWFTRVOHLUHI-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H21N3O3S/c1-2-19(9-12-5-7-21-10-12)15(20)4-3-14-17-18-16(22-14)13-6-8-23-11-13/h6,8,11-12H,2-5,7,9-10H2,1H3/t12-/m1/s1.
What are the key properties of N-ethyl-N-[[(3R)-oxolan-3-yl]methyl]-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanamide?
N-ethyl-N-[[(3R)-oxolan-3-yl]methyl]-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanamide has a molecular weight of 335.43 g/mol, XLogP of 2.62, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[[(3R)-oxolan-3-yl]methyl]-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanamide is sourced from PubChem (CID 94181333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).