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

C20H22N4O2 — CID 169419530

IUPAC(2-tert-butyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)-(2-pyrazol-1-ylphenyl)methanone
SMILESCC(C)(C)c1nc2c(o1)CCN(C(=O)c1ccccc1-n1cccn1)C2
InChIInChI=1S/C20H22N4O2/c1-20(2,3)19-22-15-13-23(12-9-17(15)26-19)18(25)14-7-4-5-8-16(14)24-11-6-10-21-24/h4-8,10-11H,9,12-13H2,1-3H3
InChIKeyGVOVPQVQCOXCGZ-UHFFFAOYSA-N
MW350.42 g/mol
LogP3.36
Rot. Bonds2

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

(2-tert-butyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)-(2-pyrazol-1-ylphenyl)methanone (PubChem CID 169419530) has the molecular formula C20H22N4O2 and a molecular weight of 350.42 g/mol. Its IUPAC name is (2-tert-butyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)-(2-pyrazol-1-ylphenyl)methanone.

Molecular Properties

Compound Name(2-tert-butyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)-(2-pyrazol-1-ylphenyl)methanone
PubChem CID169419530
Molecular FormulaC20H22N4O2
Molecular Weight350.42 g/mol
Exact Mass350.17
IUPAC Name(2-tert-butyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)-(2-pyrazol-1-ylphenyl)methanone
SMILESCC(C)(C)c1nc2c(o1)CCN(C(=O)c1ccccc1-n1cccn1)C2
InChIInChI=1S/C20H22N4O2/c1-20(2,3)19-22-15-13-23(12-9-17(15)26-19)18(25)14-7-4-5-8-16(14)24-11-6-10-21-24/h4-8,10-11H,9,12-13H2,1-3H3
InChIKeyGVOVPQVQCOXCGZ-UHFFFAOYSA-N
XLogP3.36
TPSA64.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-(2-tert-butyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine-5-carbonyl)-2,3-dihydroinden-1-one
CID 169417300
(2-tert-butyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)-(3-methyl-2-pyridinyl)methanone
CID 169417212
5-(2-tert-butyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine-5-carbonyl)-2-phenyl-1H-pyrazol-3-one
CID 170504761
1-[3-(2-tert-butyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine-5-carbonyl)phenyl]imidazolidin-2-one
CID 170508919
(2-tert-butyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)-pyrimidin-5-ylmethanone
CID 169411802
4-(2-tert-butyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine-5-carbonyl)-6-methyl-1H-pyridin-2-one
CID 170502822
(2-phenyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)-(2-pyrazol-1-ylphenyl)methanone
CID 72847006
(2-tert-butyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)-(5-methyl-1H-indol-2-yl)methanone
CID 169420822
(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
1-(2-tert-butyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)-2-(2-methylbenzimidazol-1-yl)ethanone
CID 170505373
(2-tert-butyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)-(4-piperidin-4-ylphenyl)methanone;hydrochloride
CID 171710126
(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

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)-(2-pyrazol-1-ylphenyl)methanone?
The IUPAC name of (2-tert-butyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)-(2-pyrazol-1-ylphenyl)methanone (CID 169419530) is (2-tert-butyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)-(2-pyrazol-1-ylphenyl)methanone.
What is the SMILES notation for (2-tert-butyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)-(2-pyrazol-1-ylphenyl)methanone?
The canonical SMILES for (2-tert-butyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)-(2-pyrazol-1-ylphenyl)methanone is CC(C)(C)c1nc2c(o1)CCN(C(=O)c1ccccc1-n1cccn1)C2.
What is the InChIKey of (2-tert-butyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)-(2-pyrazol-1-ylphenyl)methanone?
The InChIKey is GVOVPQVQCOXCGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O2/c1-20(2,3)19-22-15-13-23(12-9-17(15)26-19)18(25)14-7-4-5-8-16(14)24-11-6-10-21-24/h4-8,10-11H,9,12-13H2,1-3H3.
What are the key properties of (2-tert-butyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)-(2-pyrazol-1-ylphenyl)methanone?
(2-tert-butyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)-(2-pyrazol-1-ylphenyl)methanone has a molecular weight of 350.42 g/mol, XLogP of 3.36, 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)-(2-pyrazol-1-ylphenyl)methanone is sourced from PubChem (CID 169419530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).