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

C17H21N3O2 — CID 169417212

IUPAC(2-tert-butyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)-(3-methyl-2-pyridinyl)methanone
SMILESCc1cccnc1C(=O)N1CCc2oc(C(C)(C)C)nc2C1
InChIInChI=1S/C17H21N3O2/c1-11-6-5-8-18-14(11)15(21)20-9-7-13-12(10-20)19-16(22-13)17(2,3)4/h5-6,8H,7,9-10H2,1-4H3
InChIKeyKSQYKBYUKFILIQ-UHFFFAOYSA-N
MW299.37 g/mol
LogP2.87
Rot. Bonds1

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

(2-tert-butyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)-(3-methyl-2-pyridinyl)methanone (PubChem CID 169417212) has the molecular formula C17H21N3O2 and a molecular weight of 299.37 g/mol. Its IUPAC name is (2-tert-butyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)-(3-methyl-2-pyridinyl)methanone.

Molecular Properties

Compound Name(2-tert-butyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)-(3-methyl-2-pyridinyl)methanone
PubChem CID169417212
Molecular FormulaC17H21N3O2
Molecular Weight299.37 g/mol
Exact Mass299.16
IUPAC Name(2-tert-butyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)-(3-methyl-2-pyridinyl)methanone
SMILESCc1cccnc1C(=O)N1CCc2oc(C(C)(C)C)nc2C1
InChIInChI=1S/C17H21N3O2/c1-11-6-5-8-18-14(11)15(21)20-9-7-13-12(10-20)19-16(22-13)17(2,3)4/h5-6,8H,7,9-10H2,1-4H3
InChIKeyKSQYKBYUKFILIQ-UHFFFAOYSA-N
XLogP2.87
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

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Related Compounds

5-Phenyl-2-(pyridin-2-yl)-4,5,6,7-tetrahydrooxazolo[4,5-c]pyridine
CID 49782369
(4-fluorophenyl)-[2-(5-fluoro-2-pyridinyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]methanone
CID 73603977
[2-(5-fluoro-2-pyridinyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]-phenylmethanone
CID 74221949
6-(5-benzoyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-2-yl)pyridine-3-carbonitrile
CID 137634667
[2-(5-methyl-2-pyridinyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]-phenylmethanone
CID 137646682
(2-fluorophenyl)-[2-(5-fluoro-2-pyridinyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]methanone
CID 74221951
mGlu5R NAM DSR-98776
CID 74222036
Methyl 2-(pyridin-2-yl)-6,7-dihydrooxazolo[4,5-c]pyridine-5(4H)-carboxylate
CID 49782368
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-cyclohexyl-2-pyridin-2-yl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine
CID 49782366
5-propan-2-yl-2-pyridin-2-yl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine
CID 49782367
5-Methyl-2-(propan-2-YL)-N-[(pyridin-4-YL)methyl]-1,3-oxazole-4-carboxamide
CID 53195196

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)-(3-methyl-2-pyridinyl)methanone?
The IUPAC name of (2-tert-butyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)-(3-methyl-2-pyridinyl)methanone (CID 169417212) is (2-tert-butyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)-(3-methyl-2-pyridinyl)methanone.
What is the SMILES notation for (2-tert-butyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)-(3-methyl-2-pyridinyl)methanone?
The canonical SMILES for (2-tert-butyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)-(3-methyl-2-pyridinyl)methanone is Cc1cccnc1C(=O)N1CCc2oc(C(C)(C)C)nc2C1.
What is the InChIKey of (2-tert-butyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)-(3-methyl-2-pyridinyl)methanone?
The InChIKey is KSQYKBYUKFILIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O2/c1-11-6-5-8-18-14(11)15(21)20-9-7-13-12(10-20)19-16(22-13)17(2,3)4/h5-6,8H,7,9-10H2,1-4H3.
What are the key properties of (2-tert-butyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)-(3-methyl-2-pyridinyl)methanone?
(2-tert-butyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)-(3-methyl-2-pyridinyl)methanone has a molecular weight of 299.37 g/mol, XLogP of 2.87, 1 rotatable bonds, 0 hydrogen bond donors, and 4 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)-(3-methyl-2-pyridinyl)methanone is sourced from PubChem (CID 169417212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).