(2-tert-butyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)-[1-(pyridine-4-carbonyl)piperidin-4-yl]methanone

C22H28N4O3 — CID 170511079

IUPAC(2-tert-butyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)-[1-(pyridine-4-carbonyl)piperidin-4-yl]methanone
SMILESCC(C)(C)c1nc2c(o1)CCN(C(=O)C1CCN(C(=O)c3ccncc3)CC1)C2
InChIInChI=1S/C22H28N4O3/c1-22(2,3)21-24-17-14-26(13-8-18(17)29-21)20(28)16-6-11-25(12-7-16)19(27)15-4-9-23-10-5-15/h4-5,9-10,16H,6-8,11-14H2,1-3H3
InChIKeyGVVQYNQJAJNFOK-UHFFFAOYSA-N
MW396.49 g/mol
LogP2.80
Rot. Bonds2

About (2-tert-butyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)-[1-(pyridine-4-carbonyl)piperidin-4-yl]methanone

(2-tert-butyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)-[1-(pyridine-4-carbonyl)piperidin-4-yl]methanone (PubChem CID 170511079) has the molecular formula C22H28N4O3 and a molecular weight of 396.49 g/mol. Its IUPAC name is (2-tert-butyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)-[1-(pyridine-4-carbonyl)piperidin-4-yl]methanone.

Molecular Properties

Compound Name(2-tert-butyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)-[1-(pyridine-4-carbonyl)piperidin-4-yl]methanone
PubChem CID170511079
Molecular FormulaC22H28N4O3
Molecular Weight396.49 g/mol
Exact Mass396.22
IUPAC Name(2-tert-butyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)-[1-(pyridine-4-carbonyl)piperidin-4-yl]methanone
SMILESCC(C)(C)c1nc2c(o1)CCN(C(=O)C1CCN(C(=O)c3ccncc3)CC1)C2
InChIInChI=1S/C22H28N4O3/c1-22(2,3)21-24-17-14-26(13-8-18(17)29-21)20(28)16-6-11-25(12-7-16)19(27)15-4-9-23-10-5-15/h4-5,9-10,16H,6-8,11-14H2,1-3H3
InChIKeyGVVQYNQJAJNFOK-UHFFFAOYSA-N
XLogP2.80
TPSA79.54 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.49
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (2-tert-butyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)-[1-(pyridine-4-carbonyl)piperidin-4-yl]methanone with MolForge

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Related Compounds

[2-(5-methyl-2-pyridinyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]-phenylmethanone
CID 137646682
2,5-dimethyl-N-[6-methyl-5-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)-3-pyridinyl]-1,3-oxazole-4-carboxamide
CID 117609598
5-Methyl-2-(propan-2-YL)-N-[(pyridin-4-YL)methyl]-1,3-oxazole-4-carboxamide
CID 53195196
[4-[(4,5-Dimethyl-1,3-oxazol-2-yl)methyl]-1,4-diazepan-1-yl]-pyridin-2-ylmethanone
CID 56821525
1-[(2-ethyl-4-methyl-1,3-oxazol-5-yl)carbonyl]-N-(4-pyridinylmethyl)-2-piperazinecarboxamide
CID 56884395
(3-Fluoro-4-pyridinyl)-[2-(piperidin-1-ylmethyl)-4,6-dihydropyrrolo[3,4-d][1,3]oxazol-5-yl]methanone
CID 97406077
[2-(4-Methylpiperazine-1-carbonyl)-4,6-dihydropyrrolo[3,4-d][1,3]oxazol-5-yl]-pyridin-3-ylmethanone
CID 97442833
[2-[(Dimethylamino)methyl]-4,6-dihydropyrrolo[3,4-d][1,3]oxazol-5-yl]-(3-fluoro-4-pyridinyl)methanone
CID 97520331
[2-(Diethylaminomethyl)-4,6-dihydropyrrolo[3,4-d][1,3]oxazol-5-yl]-(3-fluoro-4-pyridinyl)methanone
CID 97520338
(9aR,13aS)-12-[(4-methyl-1,3-oxazol-5-yl)carbonyl]-1-(4-pyridylmethyl)tetradecahydro-9H-pyrido[3,4-b][1,5]diazacycloundecin-9-one
CID 110202088
{5-Methyl-2-[1-(3-pyridylcarbonyl)-4-piperidyl]-1,3-oxazol-4-YL}(piperidino)methanone
CID 53168392
4-{[2-(1-Isonicotinoylpiperidin-4-yl)-5-methyl-1,3-oxazol-4-yl]carbonyl}morpholine
CID 53168410

Frequently Asked Questions

What is the IUPAC name of (2-tert-butyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)-[1-(pyridine-4-carbonyl)piperidin-4-yl]methanone?
The IUPAC name of (2-tert-butyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)-[1-(pyridine-4-carbonyl)piperidin-4-yl]methanone (CID 170511079) is (2-tert-butyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)-[1-(pyridine-4-carbonyl)piperidin-4-yl]methanone.
What is the SMILES notation for (2-tert-butyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)-[1-(pyridine-4-carbonyl)piperidin-4-yl]methanone?
The canonical SMILES for (2-tert-butyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)-[1-(pyridine-4-carbonyl)piperidin-4-yl]methanone is CC(C)(C)c1nc2c(o1)CCN(C(=O)C1CCN(C(=O)c3ccncc3)CC1)C2.
What is the InChIKey of (2-tert-butyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)-[1-(pyridine-4-carbonyl)piperidin-4-yl]methanone?
The InChIKey is GVVQYNQJAJNFOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4O3/c1-22(2,3)21-24-17-14-26(13-8-18(17)29-21)20(28)16-6-11-25(12-7-16)19(27)15-4-9-23-10-5-15/h4-5,9-10,16H,6-8,11-14H2,1-3H3.
What are the key properties of (2-tert-butyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)-[1-(pyridine-4-carbonyl)piperidin-4-yl]methanone?
(2-tert-butyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)-[1-(pyridine-4-carbonyl)piperidin-4-yl]methanone has a molecular weight of 396.49 g/mol, XLogP of 2.80, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-tert-butyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)-[1-(pyridine-4-carbonyl)piperidin-4-yl]methanone is sourced from PubChem (CID 170511079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).