4-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)-N-(1,3-thiazol-2-yl)butanamide

C14H13N5O2S — CID 17101575

IUPAC4-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)-N-(1,3-thiazol-2-yl)butanamide
SMILESO=C(CCCc1nc(-c2cccnc2)no1)Nc1nccs1
InChIInChI=1S/C14H13N5O2S/c20-11(17-14-16-7-8-22-14)4-1-5-12-18-13(19-21-12)10-3-2-6-15-9-10/h2-3,6-9H,1,4-5H2,(H,16,17,20)
InChIKeyLJXCLWKANDYHAF-UHFFFAOYSA-N
MW315.36 g/mol
LogP2.55
Rot. Bonds6

About 4-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)-N-(1,3-thiazol-2-yl)butanamide

4-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)-N-(1,3-thiazol-2-yl)butanamide (PubChem CID 17101575) has the molecular formula C14H13N5O2S and a molecular weight of 315.36 g/mol. Its IUPAC name is 4-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)-N-(1,3-thiazol-2-yl)butanamide.

Molecular Properties

Compound Name4-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)-N-(1,3-thiazol-2-yl)butanamide
PubChem CID17101575
Molecular FormulaC14H13N5O2S
Molecular Weight315.36 g/mol
Exact Mass315.08
IUPAC Name4-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)-N-(1,3-thiazol-2-yl)butanamide
SMILESO=C(CCCc1nc(-c2cccnc2)no1)Nc1nccs1
InChIInChI=1S/C14H13N5O2S/c20-11(17-14-16-7-8-22-14)4-1-5-12-18-13(19-21-12)10-3-2-6-15-9-10/h2-3,6-9H,1,4-5H2,(H,16,17,20)
InChIKeyLJXCLWKANDYHAF-UHFFFAOYSA-N
XLogP2.55
TPSA93.80 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.36
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)-N-(5-thiophen-2-yl-1H-pyrazol-3-yl)propanamide
CID 47067759
N-(2-methyl-1,3-dioxoisoindol-5-yl)-4-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)butanamide
CID 50745272
4-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)-1-[(2S)-2-(1,3-thiazol-2-yl)piperidin-1-yl]butan-1-one
CID 126426649
3-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(1,3-thiazol-2-yl)propanamide
CID 26688189
3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propanoic acid
CID 3159643
N-(2,3-dihydro-1-benzofuran-3-yl)-4-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)butanamide
CID 135110269
N-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]-4-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)butanamide
CID 91772443
N-(4-acetylphenyl)-3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 16765512
4-[3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propanoylamino]benzamide
CID 51233758
4-(3-phenyl-1,2,4-oxadiazol-5-yl)-N-(1-pyridin-3-ylethyl)butanamide
CID 24642203
N-[(2R,3S)-1-hydroxy-3-methylpentan-2-yl]-4-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)butanamide
CID 124864434
N-[2-(2-methyl-1,2,4-triazol-3-yl)ethyl]-4-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)butanamide
CID 119067084

Frequently Asked Questions

What is the IUPAC name of 4-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)-N-(1,3-thiazol-2-yl)butanamide?
The IUPAC name of 4-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)-N-(1,3-thiazol-2-yl)butanamide (CID 17101575) is 4-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)-N-(1,3-thiazol-2-yl)butanamide.
What is the SMILES notation for 4-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)-N-(1,3-thiazol-2-yl)butanamide?
The canonical SMILES for 4-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)-N-(1,3-thiazol-2-yl)butanamide is O=C(CCCc1nc(-c2cccnc2)no1)Nc1nccs1.
What is the InChIKey of 4-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)-N-(1,3-thiazol-2-yl)butanamide?
The InChIKey is LJXCLWKANDYHAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N5O2S/c20-11(17-14-16-7-8-22-14)4-1-5-12-18-13(19-21-12)10-3-2-6-15-9-10/h2-3,6-9H,1,4-5H2,(H,16,17,20).
What are the key properties of 4-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)-N-(1,3-thiazol-2-yl)butanamide?
4-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)-N-(1,3-thiazol-2-yl)butanamide has a molecular weight of 315.36 g/mol, XLogP of 2.55, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)-N-(1,3-thiazol-2-yl)butanamide is sourced from PubChem (CID 17101575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).