(3,6-dimethyl-1-benzofuran-2-yl)-(2-propan-2-yl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)methanone

C20H22N2O3 — CID 169413957

IUPAC(3,6-dimethyl-1-benzofuran-2-yl)-(2-propan-2-yl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)methanone
SMILESCc1ccc2c(C)c(C(=O)N3CCc4oc(C(C)C)nc4C3)oc2c1
InChIInChI=1S/C20H22N2O3/c1-11(2)19-21-15-10-22(8-7-16(15)25-19)20(23)18-13(4)14-6-5-12(3)9-17(14)24-18/h5-6,9,11H,7-8,10H2,1-4H3
InChIKeyPODOPZYZUKOPAR-UHFFFAOYSA-N
MW338.41 g/mol
LogP4.36
Rot. Bonds2

About (3,6-dimethyl-1-benzofuran-2-yl)-(2-propan-2-yl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)methanone

(3,6-dimethyl-1-benzofuran-2-yl)-(2-propan-2-yl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)methanone (PubChem CID 169413957) has the molecular formula C20H22N2O3 and a molecular weight of 338.41 g/mol. Its IUPAC name is (3,6-dimethyl-1-benzofuran-2-yl)-(2-propan-2-yl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)methanone.

Molecular Properties

Compound Name(3,6-dimethyl-1-benzofuran-2-yl)-(2-propan-2-yl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)methanone
PubChem CID169413957
Molecular FormulaC20H22N2O3
Molecular Weight338.41 g/mol
Exact Mass338.16
IUPAC Name(3,6-dimethyl-1-benzofuran-2-yl)-(2-propan-2-yl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)methanone
SMILESCc1ccc2c(C)c(C(=O)N3CCc4oc(C(C)C)nc4C3)oc2c1
InChIInChI=1S/C20H22N2O3/c1-11(2)19-21-15-10-22(8-7-16(15)25-19)20(23)18-13(4)14-6-5-12(3)9-17(14)24-18/h5-6,9,11H,7-8,10H2,1-4H3
InChIKeyPODOPZYZUKOPAR-UHFFFAOYSA-N
XLogP4.36
TPSA59.48 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (3,6-dimethyl-1-benzofuran-2-yl)-(2-propan-2-yl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)methanone with MolForge

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Launch Full Analysis

Related Compounds

(2,6-dimethyl-4-pyridinyl)-(2-propan-2-yl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)methanone
CID 170504287
2H-benzotriazol-5-yl-(2-propan-2-yl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)methanone
CID 170507258
6-(3,6-dimethyl-1-benzofuran-2-carbonyl)-2,3-dimethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-one
CID 70713832
(1-ethylpyrazol-3-yl)-(2-propan-2-yl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)methanone
CID 170509577
(3-chloro-4-pyridinyl)-(2-propan-2-yl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)methanone
CID 169421958
(2-methyl-4-phenyl-3-pyridinyl)-(2-propan-2-yl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)methanone
CID 169419354
2-(3,5-dimethylpyrazol-1-yl)-1-(2-propan-2-yl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)ethanone
CID 169421225
1-(3,6-dimethyl-1-benzofuran-2-yl)-2-methylpropan-1-one
CID 63638930
(2-propan-2-yl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methanone
CID 170504513
(1-aminocyclopentyl)-(2-propan-2-yl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)methanone
CID 170505691
(3-methyl-1-benzofuran-2-yl)-[2-(oxolan-3-yl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]methanone
CID 169411722
(3,6-dimethyl-1-benzofuran-2-yl)-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
CID 35181036

Frequently Asked Questions

What is the IUPAC name of (3,6-dimethyl-1-benzofuran-2-yl)-(2-propan-2-yl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)methanone?
The IUPAC name of (3,6-dimethyl-1-benzofuran-2-yl)-(2-propan-2-yl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)methanone (CID 169413957) is (3,6-dimethyl-1-benzofuran-2-yl)-(2-propan-2-yl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)methanone.
What is the SMILES notation for (3,6-dimethyl-1-benzofuran-2-yl)-(2-propan-2-yl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)methanone?
The canonical SMILES for (3,6-dimethyl-1-benzofuran-2-yl)-(2-propan-2-yl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)methanone is Cc1ccc2c(C)c(C(=O)N3CCc4oc(C(C)C)nc4C3)oc2c1.
What is the InChIKey of (3,6-dimethyl-1-benzofuran-2-yl)-(2-propan-2-yl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)methanone?
The InChIKey is PODOPZYZUKOPAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O3/c1-11(2)19-21-15-10-22(8-7-16(15)25-19)20(23)18-13(4)14-6-5-12(3)9-17(14)24-18/h5-6,9,11H,7-8,10H2,1-4H3.
What are the key properties of (3,6-dimethyl-1-benzofuran-2-yl)-(2-propan-2-yl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)methanone?
(3,6-dimethyl-1-benzofuran-2-yl)-(2-propan-2-yl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)methanone has a molecular weight of 338.41 g/mol, XLogP of 4.36, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3,6-dimethyl-1-benzofuran-2-yl)-(2-propan-2-yl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)methanone is sourced from PubChem (CID 169413957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).