2-[3-(2-cyclopropyl-4-pyridinyl)-1,2,4-oxadiazol-5-yl]-N-phenylacetamide

C18H16N4O2 — CID 166099658

IUPAC2-[3-(2-cyclopropyl-4-pyridinyl)-1,2,4-oxadiazol-5-yl]-N-phenylacetamide
SMILESO=C(Cc1nc(-c2ccnc(C3CC3)c2)no1)Nc1ccccc1
InChIInChI=1S/C18H16N4O2/c23-16(20-14-4-2-1-3-5-14)11-17-21-18(22-24-17)13-8-9-19-15(10-13)12-6-7-12/h1-5,8-10,12H,6-7,11H2,(H,20,23)
InChIKeyHEPOZYRMNJNSFK-UHFFFAOYSA-N
MW320.35 g/mol
LogP3.19
Rot. Bonds5

About 2-[3-(2-cyclopropyl-4-pyridinyl)-1,2,4-oxadiazol-5-yl]-N-phenylacetamide

2-[3-(2-cyclopropyl-4-pyridinyl)-1,2,4-oxadiazol-5-yl]-N-phenylacetamide (PubChem CID 166099658) has the molecular formula C18H16N4O2 and a molecular weight of 320.35 g/mol. Its IUPAC name is 2-[3-(2-cyclopropyl-4-pyridinyl)-1,2,4-oxadiazol-5-yl]-N-phenylacetamide.

Molecular Properties

Compound Name2-[3-(2-cyclopropyl-4-pyridinyl)-1,2,4-oxadiazol-5-yl]-N-phenylacetamide
PubChem CID166099658
Molecular FormulaC18H16N4O2
Molecular Weight320.35 g/mol
Exact Mass320.13
IUPAC Name2-[3-(2-cyclopropyl-4-pyridinyl)-1,2,4-oxadiazol-5-yl]-N-phenylacetamide
SMILESO=C(Cc1nc(-c2ccnc(C3CC3)c2)no1)Nc1ccccc1
InChIInChI=1S/C18H16N4O2/c23-16(20-14-4-2-1-3-5-14)11-17-21-18(22-24-17)13-8-9-19-15(10-13)12-6-7-12/h1-5,8-10,12H,6-7,11H2,(H,20,23)
InChIKeyHEPOZYRMNJNSFK-UHFFFAOYSA-N
XLogP3.19
TPSA80.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.35
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1S)-1-[3-(2-cyclopropyl-4-pyridinyl)-1,2,4-oxadiazol-5-yl]ethyl]benzamide
CID 166519137
N-benzyl-2-[3-(2-cyclopropyl-4-pyridinyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 166099671
2-[3-(2-cyclopropyl-4-pyridinyl)-1,2,4-oxadiazol-5-yl]-N-[(1R)-1-phenylethyl]propanamide
CID 166099668
2-(4-acetamidophenyl)-N-[3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)phenyl]acetamide
CID 53041723
3-[3-(1H-indol-6-yl)-1,2,4-oxadiazol-5-yl]-N-phenylpropanamide
CID 71706335
N-[3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)phenyl]-2-(4-fluorophenyl)acetamide
CID 53041733
3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-phenylpropanamide
CID 3826214
4-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-phenylbutanamide
CID 17101291
3-(3-phenyl-1,2,4-oxadiazol-5-yl)-N-(4-phenylphenyl)propanamide
CID 9192093
3-[3-(4-iodophenyl)-1,2,4-oxadiazol-5-yl]-N-phenylpropanamide
CID 100763881
3-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-phenylpropanamide
CID 2041528
2-phenyl-N-[6-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]-3-pyridinyl]acetamide
CID 138680135

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-cyclopropyl-4-pyridinyl)-1,2,4-oxadiazol-5-yl]-N-phenylacetamide?
The IUPAC name of 2-[3-(2-cyclopropyl-4-pyridinyl)-1,2,4-oxadiazol-5-yl]-N-phenylacetamide (CID 166099658) is 2-[3-(2-cyclopropyl-4-pyridinyl)-1,2,4-oxadiazol-5-yl]-N-phenylacetamide.
What is the SMILES notation for 2-[3-(2-cyclopropyl-4-pyridinyl)-1,2,4-oxadiazol-5-yl]-N-phenylacetamide?
The canonical SMILES for 2-[3-(2-cyclopropyl-4-pyridinyl)-1,2,4-oxadiazol-5-yl]-N-phenylacetamide is O=C(Cc1nc(-c2ccnc(C3CC3)c2)no1)Nc1ccccc1.
What is the InChIKey of 2-[3-(2-cyclopropyl-4-pyridinyl)-1,2,4-oxadiazol-5-yl]-N-phenylacetamide?
The InChIKey is HEPOZYRMNJNSFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4O2/c23-16(20-14-4-2-1-3-5-14)11-17-21-18(22-24-17)13-8-9-19-15(10-13)12-6-7-12/h1-5,8-10,12H,6-7,11H2,(H,20,23).
What are the key properties of 2-[3-(2-cyclopropyl-4-pyridinyl)-1,2,4-oxadiazol-5-yl]-N-phenylacetamide?
2-[3-(2-cyclopropyl-4-pyridinyl)-1,2,4-oxadiazol-5-yl]-N-phenylacetamide has a molecular weight of 320.35 g/mol, XLogP of 3.19, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-cyclopropyl-4-pyridinyl)-1,2,4-oxadiazol-5-yl]-N-phenylacetamide is sourced from PubChem (CID 166099658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).