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

C19H21N5O2 — CID 169422318

IUPAC(2-tert-butyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)-[4-(1H-1,2,4-triazol-5-yl)phenyl]methanone
SMILESCC(C)(C)c1nc2c(o1)CCN(C(=O)c1ccc(-c3ncn[nH]3)cc1)C2
InChIInChI=1S/C19H21N5O2/c1-19(2,3)18-22-14-10-24(9-8-15(14)26-18)17(25)13-6-4-12(5-7-13)16-20-11-21-23-16/h4-7,11H,8-10H2,1-3H3,(H,20,21,23)
InChIKeyAEQVUOBIBFQVRF-UHFFFAOYSA-N
MW351.41 g/mol
LogP2.96
Rot. Bonds2

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

(2-tert-butyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)-[4-(1H-1,2,4-triazol-5-yl)phenyl]methanone (PubChem CID 169422318) has the molecular formula C19H21N5O2 and a molecular weight of 351.41 g/mol. Its IUPAC name is (2-tert-butyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)-[4-(1H-1,2,4-triazol-5-yl)phenyl]methanone.

Molecular Properties

Compound Name(2-tert-butyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)-[4-(1H-1,2,4-triazol-5-yl)phenyl]methanone
PubChem CID169422318
Molecular FormulaC19H21N5O2
Molecular Weight351.41 g/mol
Exact Mass351.17
IUPAC Name(2-tert-butyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)-[4-(1H-1,2,4-triazol-5-yl)phenyl]methanone
SMILESCC(C)(C)c1nc2c(o1)CCN(C(=O)c1ccc(-c3ncn[nH]3)cc1)C2
InChIInChI=1S/C19H21N5O2/c1-19(2,3)18-22-14-10-24(9-8-15(14)26-18)17(25)13-6-4-12(5-7-13)16-20-11-21-23-16/h4-7,11H,8-10H2,1-3H3,(H,20,21,23)
InChIKeyAEQVUOBIBFQVRF-UHFFFAOYSA-N
XLogP2.96
TPSA87.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

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Related Compounds

{4-[(4-ethyl-4H-1,2,4-triazol-3-yl)methyl]piperidino}(1-{[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl}-4-piperidyl)methanone
CID 91919549
(2-ethyl-4-methyl-1,3-oxazol-5-yl)-(2-phenyl-6,7-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrimidin-4-yl)methanone
CID 136570795
2-[3,5-bis(4-fluorophenyl)-1,2,4-triazol-1-yl]-1-(2-methyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)ethanone
CID 89623041
1-{[2-(2-fluoro-5-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl}-4-(1H-1,2,4-triazol-3-ylcarbonyl)piperazine
CID 28331765
1-[[2-(4-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-3-[3-(1H-1,2,4-triazol-5-yl)propyl]urea
CID 167990124
2-(2-phenylethyl)-5-{[3-(trifluoromethyl)-1H-1,2,4-triazol-5-yl]carbonyl}-4,5,6,7-tetrahydro[1,3]oxazolo[4,5-c]pyridine
CID 170504037
2-benzyl-5-{[3-(trifluoromethyl)-1H-1,2,4-triazol-5-yl]carbonyl}-4,5,6,7-tetrahydro[1,3]oxazolo[4,5-c]pyridine
CID 170504151
2-(4,5-dimethylcyclohepta-1,3,6-trien-1-yl)-5-[(4-methylphenyl)methyl]-4-(1H-1,2,4-triazol-5-yl)-1,3-oxazole
CID 123600646
N-[(2,4-dimethyl-1,3-oxazol-5-yl)methyl]-3-[(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)methylamino]benzamide
CID 162365624
N-[(5-methyl-1,3-oxazol-4-yl)methyl]-3-[(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)methylamino]benzamide
CID 162365670
N-[(2-ethyl-5-methyl-1,3-oxazol-4-yl)methyl]-3-[(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)methylamino]benzamide
CID 166579432
1-({5-methyl-2-[4-(methylthio)phenyl]-1,3-oxazol-4-yl}methyl)-4-(1H-1,2,4-triazol-3-ylcarbonyl)piperazine
CID 28956966

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)-[4-(1H-1,2,4-triazol-5-yl)phenyl]methanone?
The IUPAC name of (2-tert-butyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)-[4-(1H-1,2,4-triazol-5-yl)phenyl]methanone (CID 169422318) is (2-tert-butyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)-[4-(1H-1,2,4-triazol-5-yl)phenyl]methanone.
What is the SMILES notation for (2-tert-butyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)-[4-(1H-1,2,4-triazol-5-yl)phenyl]methanone?
The canonical SMILES for (2-tert-butyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)-[4-(1H-1,2,4-triazol-5-yl)phenyl]methanone is CC(C)(C)c1nc2c(o1)CCN(C(=O)c1ccc(-c3ncn[nH]3)cc1)C2.
What is the InChIKey of (2-tert-butyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)-[4-(1H-1,2,4-triazol-5-yl)phenyl]methanone?
The InChIKey is AEQVUOBIBFQVRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O2/c1-19(2,3)18-22-14-10-24(9-8-15(14)26-18)17(25)13-6-4-12(5-7-13)16-20-11-21-23-16/h4-7,11H,8-10H2,1-3H3,(H,20,21,23).
What are the key properties of (2-tert-butyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)-[4-(1H-1,2,4-triazol-5-yl)phenyl]methanone?
(2-tert-butyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)-[4-(1H-1,2,4-triazol-5-yl)phenyl]methanone has a molecular weight of 351.41 g/mol, XLogP of 2.96, 2 rotatable bonds, 1 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)-[4-(1H-1,2,4-triazol-5-yl)phenyl]methanone is sourced from PubChem (CID 169422318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).