N-(oxolan-2-ylmethyl)-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide

C14H17N3O3S — CID 18102026

IUPACN-(oxolan-2-ylmethyl)-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide
SMILESO=C(CCc1nc(-c2cccs2)no1)NCC1CCCO1
InChIInChI=1S/C14H17N3O3S/c18-12(15-9-10-3-1-7-19-10)5-6-13-16-14(17-20-13)11-4-2-8-21-11/h2,4,8,10H,1,3,5-7,9H2,(H,15,18)
InChIKeyFUORKZARUBGLAT-UHFFFAOYSA-N
MW307.38 g/mol
LogP2.03
Rot. Bonds6

About N-(oxolan-2-ylmethyl)-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide

N-(oxolan-2-ylmethyl)-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide (PubChem CID 18102026) has the molecular formula C14H17N3O3S and a molecular weight of 307.38 g/mol. Its IUPAC name is N-(oxolan-2-ylmethyl)-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide.

Molecular Properties

Compound NameN-(oxolan-2-ylmethyl)-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide
PubChem CID18102026
Molecular FormulaC14H17N3O3S
Molecular Weight307.38 g/mol
Exact Mass307.10
IUPAC NameN-(oxolan-2-ylmethyl)-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide
SMILESO=C(CCc1nc(-c2cccs2)no1)NCC1CCCO1
InChIInChI=1S/C14H17N3O3S/c18-12(15-9-10-3-1-7-19-10)5-6-13-16-14(17-20-13)11-4-2-8-21-11/h2,4,8,10H,1,3,5-7,9H2,(H,15,18)
InChIKeyFUORKZARUBGLAT-UHFFFAOYSA-N
XLogP2.03
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.38
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(cyclohexylmethyl)-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 24679617
N-(oxolan-2-ylmethyl)-3-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)propanamide
CID 110335177
N-[[(2S)-oxolan-2-yl]methyl]-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 34750356
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 51230521
3-(3-naphthalen-1-yl-1,2,4-oxadiazol-5-yl)-N-(oxolan-2-ylmethyl)propanamide
CID 133209775
N-[[(2S)-oxolan-2-yl]methyl]-3-thiophen-2-ylpropanamide
CID 93174433
N-[2-(cycloheptylamino)ethyl]-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 119619263
3-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]-N-(oxolan-2-ylmethyl)propanamide
CID 133209749
3-[3-(4-iodophenyl)-1,2,4-oxadiazol-5-yl]-N-[[(2R)-oxolan-2-yl]methyl]propanamide
CID 100763862
3-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-[[(2R)-oxolan-2-yl]methyl]propanamide
CID 2227018
N-(2-amino-2-methylpropyl)-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 119625948
3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-[[(2S)-oxolan-2-yl]methyl]propanamide
CID 7419913

Frequently Asked Questions

What is the IUPAC name of N-(oxolan-2-ylmethyl)-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide?
The IUPAC name of N-(oxolan-2-ylmethyl)-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide (CID 18102026) is N-(oxolan-2-ylmethyl)-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide.
What is the SMILES notation for N-(oxolan-2-ylmethyl)-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide?
The canonical SMILES for N-(oxolan-2-ylmethyl)-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide is O=C(CCc1nc(-c2cccs2)no1)NCC1CCCO1.
What is the InChIKey of N-(oxolan-2-ylmethyl)-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide?
The InChIKey is FUORKZARUBGLAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O3S/c18-12(15-9-10-3-1-7-19-10)5-6-13-16-14(17-20-13)11-4-2-8-21-11/h2,4,8,10H,1,3,5-7,9H2,(H,15,18).
What are the key properties of N-(oxolan-2-ylmethyl)-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide?
N-(oxolan-2-ylmethyl)-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide has a molecular weight of 307.38 g/mol, XLogP of 2.03, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxolan-2-ylmethyl)-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide is sourced from PubChem (CID 18102026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).