2,2-dimethylpropyl 4-[4-[5-(dimethylamino)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]piperazine-1-carboxylate

C19H28N6O3 — CID 11992804

IUPAC2,2-dimethylpropyl 4-[4-[5-(dimethylamino)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]piperazine-1-carboxylate
SMILESCN(C)c1nc(-c2ccnc(N3CCN(C(=O)OCC(C)(C)C)CC3)c2)no1
InChIInChI=1S/C19H28N6O3/c1-19(2,3)13-27-18(26)25-10-8-24(9-11-25)15-12-14(6-7-20-15)16-21-17(23(4)5)28-22-16/h6-7,12H,8-11,13H2,1-5H3
InChIKeyWRVDPAQHMHNRBV-UHFFFAOYSA-N
MW388.47 g/mol
LogP2.50
Rot. Bonds4

About 2,2-dimethylpropyl 4-[4-[5-(dimethylamino)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]piperazine-1-carboxylate

2,2-dimethylpropyl 4-[4-[5-(dimethylamino)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]piperazine-1-carboxylate (PubChem CID 11992804) has the molecular formula C19H28N6O3 and a molecular weight of 388.47 g/mol. Its IUPAC name is 2,2-dimethylpropyl 4-[4-[5-(dimethylamino)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]piperazine-1-carboxylate.

Molecular Properties

Compound Name2,2-dimethylpropyl 4-[4-[5-(dimethylamino)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]piperazine-1-carboxylate
PubChem CID11992804
Molecular FormulaC19H28N6O3
Molecular Weight388.47 g/mol
Exact Mass388.22
IUPAC Name2,2-dimethylpropyl 4-[4-[5-(dimethylamino)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]piperazine-1-carboxylate
SMILESCN(C)c1nc(-c2ccnc(N3CCN(C(=O)OCC(C)(C)C)CC3)c2)no1
InChIInChI=1S/C19H28N6O3/c1-19(2,3)13-27-18(26)25-10-8-24(9-11-25)15-12-14(6-7-20-15)16-21-17(23(4)5)28-22-16/h6-7,12H,8-11,13H2,1-5H3
InChIKeyWRVDPAQHMHNRBV-UHFFFAOYSA-N
XLogP2.50
TPSA87.83 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.47
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 2,2-dimethylpropyl 4-[4-[5-(dimethylamino)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]piperazine-1-carboxylate with MolForge

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Related Compounds

2,2-dimethylpropyl 4-[4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]piperazine-1-carboxylate
CID 11992706
2,2-dimethylpropyl 4-(4-methoxycarbonyl-2-pyridinyl)piperazine-1-carboxylate
CID 11992422
methyl 4-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]piperazine-1-carboxylate
CID 133319821
[3-(2-piperidin-1-yl-4-pyridinyl)-1,2,4-oxadiazol-5-yl]-pyrrolidin-1-ylmethanone
CID 53175202
1-[4-[2-[3-[2-(4-acetylpiperazin-1-yl)-4-pyridinyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]piperidin-1-yl]ethanone
CID 75614802
N-(2-methoxyethyl)-3-(2-piperidin-1-yl-4-pyridinyl)-1,2,4-oxadiazole-5-carboxamide
CID 53175171
[3-[2-(azepan-1-yl)-4-pyridinyl]-1,2,4-oxadiazol-5-yl]-(4-propan-2-ylpiperazin-1-yl)methanone
CID 53175315
[3-(2-piperidin-1-yl-4-pyridinyl)-1,2,4-oxadiazol-5-yl]-(4-propan-2-ylpiperazin-1-yl)methanone
CID 53175194
1-[4-[4-[5-(1-cyclohexylpyrrolidin-2-yl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]piperazin-1-yl]ethanone
CID 75614809
[3-[2-(4-methylpiperidin-1-yl)-4-pyridinyl]-1,2,4-oxadiazol-5-yl]-(4-phenylpiperazin-1-yl)methanone
CID 53175259
2,2-dimethylpropyl 4-(1,3-benzoxazol-2-yl)piperazine-1-carboxylate
CID 11992420
5-(2-chlorothiophen-3-yl)-3-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-1,2,4-oxadiazole
CID 166243754

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethylpropyl 4-[4-[5-(dimethylamino)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]piperazine-1-carboxylate?
The IUPAC name of 2,2-dimethylpropyl 4-[4-[5-(dimethylamino)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]piperazine-1-carboxylate (CID 11992804) is 2,2-dimethylpropyl 4-[4-[5-(dimethylamino)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]piperazine-1-carboxylate.
What is the SMILES notation for 2,2-dimethylpropyl 4-[4-[5-(dimethylamino)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]piperazine-1-carboxylate?
The canonical SMILES for 2,2-dimethylpropyl 4-[4-[5-(dimethylamino)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]piperazine-1-carboxylate is CN(C)c1nc(-c2ccnc(N3CCN(C(=O)OCC(C)(C)C)CC3)c2)no1.
What is the InChIKey of 2,2-dimethylpropyl 4-[4-[5-(dimethylamino)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]piperazine-1-carboxylate?
The InChIKey is WRVDPAQHMHNRBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N6O3/c1-19(2,3)13-27-18(26)25-10-8-24(9-11-25)15-12-14(6-7-20-15)16-21-17(23(4)5)28-22-16/h6-7,12H,8-11,13H2,1-5H3.
What are the key properties of 2,2-dimethylpropyl 4-[4-[5-(dimethylamino)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]piperazine-1-carboxylate?
2,2-dimethylpropyl 4-[4-[5-(dimethylamino)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]piperazine-1-carboxylate has a molecular weight of 388.47 g/mol, XLogP of 2.50, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethylpropyl 4-[4-[5-(dimethylamino)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]piperazine-1-carboxylate is sourced from PubChem (CID 11992804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).