3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-(6-methoxy-3-pyridinyl)propanamide

C15H20N4O3 — CID 39898339

IUPAC3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-(6-methoxy-3-pyridinyl)propanamide
SMILESCOc1ccc(NC(=O)CCc2nc(C(C)(C)C)no2)cn1
InChIInChI=1S/C15H20N4O3/c1-15(2,3)14-18-13(22-19-14)8-6-11(20)17-10-5-7-12(21-4)16-9-10/h5,7,9H,6,8H2,1-4H3,(H,17,20)
InChIKeyNSZIPKJWIPJZSN-UHFFFAOYSA-N
MW304.35 g/mol
LogP2.34
Rot. Bonds5

About 3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-(6-methoxy-3-pyridinyl)propanamide

3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-(6-methoxy-3-pyridinyl)propanamide (PubChem CID 39898339) has the molecular formula C15H20N4O3 and a molecular weight of 304.35 g/mol. Its IUPAC name is 3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-(6-methoxy-3-pyridinyl)propanamide.

Molecular Properties

Compound Name3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-(6-methoxy-3-pyridinyl)propanamide
PubChem CID39898339
Molecular FormulaC15H20N4O3
Molecular Weight304.35 g/mol
Exact Mass304.15
IUPAC Name3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-(6-methoxy-3-pyridinyl)propanamide
SMILESCOc1ccc(NC(=O)CCc2nc(C(C)(C)C)no2)cn1
InChIInChI=1S/C15H20N4O3/c1-15(2,3)14-18-13(22-19-14)8-6-11(20)17-10-5-7-12(21-4)16-9-10/h5,7,9H,6,8H2,1-4H3,(H,17,20)
InChIKeyNSZIPKJWIPJZSN-UHFFFAOYSA-N
XLogP2.34
TPSA90.14 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(6-methoxy-3-pyridinyl)-3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 46459907
3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-(3,5-difluoro-4-methoxyphenyl)propanamide
CID 87031670
3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-naphthalen-2-ylpropanamide
CID 39887942
3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-(1H-indazol-6-yl)propanamide
CID 47030832
3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-[4-(1,3-oxazol-5-yl)phenyl]propanamide
CID 87046869
N-[3-(4-bromoanilino)-3-oxopropyl]-3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)propanamide
CID 55952741
3-(4-tert-butylphenoxy)-N-(6-methoxy-3-pyridinyl)propanamide
CID 18289170
3-acetamido-N-(6-methoxy-3-pyridinyl)propanamide
CID 47096905
2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(6-methoxy-3-pyridinyl)acetamide
CID 110620811
3-[4-[4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)butanoylamino]phenyl]propanoic acid
CID 119252322
3-[3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)propanoylamino]-4-methoxy-N-methylbenzamide
CID 87001782
3-[3-[(1R)-1-methoxyethyl]-1,2,4-oxadiazol-5-yl]-N-[6-(4-methylphenoxy)-3-pyridinyl]propanamide
CID 96528492

Frequently Asked Questions

What is the IUPAC name of 3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-(6-methoxy-3-pyridinyl)propanamide?
The IUPAC name of 3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-(6-methoxy-3-pyridinyl)propanamide (CID 39898339) is 3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-(6-methoxy-3-pyridinyl)propanamide.
What is the SMILES notation for 3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-(6-methoxy-3-pyridinyl)propanamide?
The canonical SMILES for 3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-(6-methoxy-3-pyridinyl)propanamide is COc1ccc(NC(=O)CCc2nc(C(C)(C)C)no2)cn1.
What is the InChIKey of 3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-(6-methoxy-3-pyridinyl)propanamide?
The InChIKey is NSZIPKJWIPJZSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O3/c1-15(2,3)14-18-13(22-19-14)8-6-11(20)17-10-5-7-12(21-4)16-9-10/h5,7,9H,6,8H2,1-4H3,(H,17,20).
What are the key properties of 3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-(6-methoxy-3-pyridinyl)propanamide?
3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-(6-methoxy-3-pyridinyl)propanamide has a molecular weight of 304.35 g/mol, XLogP of 2.34, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-(6-methoxy-3-pyridinyl)propanamide is sourced from PubChem (CID 39898339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).