(4-amino-1,2,5-oxadiazol-3-yl)-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)methanone

C12H18N4O2 — CID 114459992

IUPAC(4-amino-1,2,5-oxadiazol-3-yl)-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)methanone
SMILESCC(C)(C)C1=CCN(C(=O)c2nonc2N)CC1
InChIInChI=1S/C12H18N4O2/c1-12(2,3)8-4-6-16(7-5-8)11(17)9-10(13)15-18-14-9/h4H,5-7H2,1-3H3,(H2,13,15)
InChIKeyUKSRNFMVZVLKAJ-UHFFFAOYSA-N
MW250.30 g/mol
LogP1.47
Rot. Bonds1

About (4-amino-1,2,5-oxadiazol-3-yl)-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)methanone

(4-amino-1,2,5-oxadiazol-3-yl)-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)methanone (PubChem CID 114459992) has the molecular formula C12H18N4O2 and a molecular weight of 250.30 g/mol. Its IUPAC name is (4-amino-1,2,5-oxadiazol-3-yl)-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)methanone.

Molecular Properties

Compound Name(4-amino-1,2,5-oxadiazol-3-yl)-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)methanone
PubChem CID114459992
Molecular FormulaC12H18N4O2
Molecular Weight250.30 g/mol
Exact Mass250.14
IUPAC Name(4-amino-1,2,5-oxadiazol-3-yl)-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)methanone
SMILESCC(C)(C)C1=CCN(C(=O)c2nonc2N)CC1
InChIInChI=1S/C12H18N4O2/c1-12(2,3)8-4-6-16(7-5-8)11(17)9-10(13)15-18-14-9/h4H,5-7H2,1-3H3,(H2,13,15)
InChIKeyUKSRNFMVZVLKAJ-UHFFFAOYSA-N
XLogP1.47
TPSA85.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (4-amino-1,2,5-oxadiazol-3-yl)-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)methanone?
The IUPAC name of (4-amino-1,2,5-oxadiazol-3-yl)-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)methanone (CID 114459992) is (4-amino-1,2,5-oxadiazol-3-yl)-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)methanone.
What is the SMILES notation for (4-amino-1,2,5-oxadiazol-3-yl)-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)methanone?
The canonical SMILES for (4-amino-1,2,5-oxadiazol-3-yl)-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)methanone is CC(C)(C)C1=CCN(C(=O)c2nonc2N)CC1.
What is the InChIKey of (4-amino-1,2,5-oxadiazol-3-yl)-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)methanone?
The InChIKey is UKSRNFMVZVLKAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O2/c1-12(2,3)8-4-6-16(7-5-8)11(17)9-10(13)15-18-14-9/h4H,5-7H2,1-3H3,(H2,13,15).
What are the key properties of (4-amino-1,2,5-oxadiazol-3-yl)-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)methanone?
(4-amino-1,2,5-oxadiazol-3-yl)-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)methanone has a molecular weight of 250.30 g/mol, XLogP of 1.47, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-1,2,5-oxadiazol-3-yl)-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)methanone is sourced from PubChem (CID 114459992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).