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

C14H17N3O3S — CID 110335177

IUPACN-(oxolan-2-ylmethyl)-3-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)propanamide
SMILESO=C(CCc1nnc(-c2cccs2)o1)NCC1CCCO1
InChIInChI=1S/C14H17N3O3S/c18-12(15-9-10-3-1-7-19-10)5-6-13-16-17-14(20-13)11-4-2-8-21-11/h2,4,8,10H,1,3,5-7,9H2,(H,15,18)
InChIKeyITAZKGDLIWCGHE-UHFFFAOYSA-N
MW307.38 g/mol
LogP2.03
Rot. Bonds6

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

N-(oxolan-2-ylmethyl)-3-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)propanamide (PubChem CID 110335177) has the molecular formula C14H17N3O3S and a molecular weight of 307.38 g/mol. Its IUPAC name is N-(oxolan-2-ylmethyl)-3-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)propanamide.

Molecular Properties

Compound NameN-(oxolan-2-ylmethyl)-3-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)propanamide
PubChem CID110335177
Molecular FormulaC14H17N3O3S
Molecular Weight307.38 g/mol
Exact Mass307.10
IUPAC NameN-(oxolan-2-ylmethyl)-3-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)propanamide
SMILESO=C(CCc1nnc(-c2cccs2)o1)NCC1CCCO1
InChIInChI=1S/C14H17N3O3S/c18-12(15-9-10-3-1-7-19-10)5-6-13-16-17-14(20-13)11-4-2-8-21-11/h2,4,8,10H,1,3,5-7,9H2,(H,15,18)
InChIKeyITAZKGDLIWCGHE-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-(oxolan-2-ylmethyl)-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 18102026
N-[[(2S)-oxolan-2-yl]methyl]-3-thiophen-2-ylpropanamide
CID 93174433
N-cyclopropyl-3-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)propanamide
CID 110335163
N-[[(2S)-oxolan-2-yl]methyl]-3-(5-oxo-3-thiophen-2-yl-4H-1,2,4-triazin-6-yl)propanamide
CID 136858480
N-(oxolan-2-ylmethyl)-3-(1,3-thiazol-2-yl)propanamide
CID 90013649
4-oxo-N-[[(2R)-oxolan-2-yl]methyl]-4-thiophen-2-ylbutanamide
CID 2530381
2-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methylsulfanyl]-N-(oxolan-2-ylmethyl)acetamide
CID 15996873
N-[(4-chlorophenyl)methyl]-3-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)propanamide
CID 110335195
N-(cyclohexylmethyl)-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 24679617
2-[(4-amino-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 2567274
N-[[(2S)-oxolan-2-yl]methyl]-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 34750356
N-[[(2S)-oxolan-2-yl]methyl]-3-(5-phenyl-1,3-oxazol-2-yl)propanamide
CID 30822933

Frequently Asked Questions

What is the IUPAC name of N-(oxolan-2-ylmethyl)-3-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)propanamide?
The IUPAC name of N-(oxolan-2-ylmethyl)-3-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)propanamide (CID 110335177) is N-(oxolan-2-ylmethyl)-3-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)propanamide.
What is the SMILES notation for N-(oxolan-2-ylmethyl)-3-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)propanamide?
The canonical SMILES for N-(oxolan-2-ylmethyl)-3-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)propanamide is O=C(CCc1nnc(-c2cccs2)o1)NCC1CCCO1.
What is the InChIKey of N-(oxolan-2-ylmethyl)-3-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)propanamide?
The InChIKey is ITAZKGDLIWCGHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O3S/c18-12(15-9-10-3-1-7-19-10)5-6-13-16-17-14(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-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)propanamide?
N-(oxolan-2-ylmethyl)-3-(5-thiophen-2-yl-1,3,4-oxadiazol-2-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-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)propanamide is sourced from PubChem (CID 110335177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).