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

C20H20N4O3 — CID 171385718

IUPAC(6-amino-3-pyridinyl)-[2-[methoxy(phenyl)methyl]-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]methanone
SMILESCOC(c1ccccc1)c1nc2c(o1)CCN(C(=O)c1ccc(N)nc1)C2
InChIInChI=1S/C20H20N4O3/c1-26-18(13-5-3-2-4-6-13)19-23-15-12-24(10-9-16(15)27-19)20(25)14-7-8-17(21)22-11-14/h2-8,11,18H,9-10,12H2,1H3,(H2,21,22)
InChIKeyPDAXSPIJZDYCPR-UHFFFAOYSA-N
MW364.41 g/mol
LogP2.59
Rot. Bonds4

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

(6-amino-3-pyridinyl)-[2-[methoxy(phenyl)methyl]-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]methanone (PubChem CID 171385718) has the molecular formula C20H20N4O3 and a molecular weight of 364.41 g/mol. Its IUPAC name is (6-amino-3-pyridinyl)-[2-[methoxy(phenyl)methyl]-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]methanone.

Molecular Properties

Compound Name(6-amino-3-pyridinyl)-[2-[methoxy(phenyl)methyl]-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]methanone
PubChem CID171385718
Molecular FormulaC20H20N4O3
Molecular Weight364.41 g/mol
Exact Mass364.15
IUPAC Name(6-amino-3-pyridinyl)-[2-[methoxy(phenyl)methyl]-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]methanone
SMILESCOC(c1ccccc1)c1nc2c(o1)CCN(C(=O)c1ccc(N)nc1)C2
InChIInChI=1S/C20H20N4O3/c1-26-18(13-5-3-2-4-6-13)19-23-15-12-24(10-9-16(15)27-19)20(25)14-7-8-17(21)22-11-14/h2-8,11,18H,9-10,12H2,1H3,(H2,21,22)
InChIKeyPDAXSPIJZDYCPR-UHFFFAOYSA-N
XLogP2.59
TPSA94.48 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.41
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(1-tert-butylpyrrol-3-yl)-[2-[methoxy(phenyl)methyl]-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]methanone
CID 170502863
[2-[methoxy(phenyl)methyl]-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]-pyridazin-3-ylmethanone
CID 169414930
[4-(hydroxymethyl)-2-pyridinyl]-[2-[methoxy(phenyl)methyl]-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]methanone
CID 170506103
[2-[methoxy(phenyl)methyl]-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)methanone
CID 169418372
imidazo[1,2-a]pyrimidin-2-yl-[2-[methoxy(phenyl)methyl]-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]methanone
CID 170506007
2-[2-[methoxy(phenyl)methyl]-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine-5-carbonyl]-5-methyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
CID 170505516
[4-(hydroxymethyl)oxan-4-yl]-[2-[methoxy(phenyl)methyl]-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]methanone
CID 170506982
1-[2-[methoxy(phenyl)methyl]-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethanone
CID 170504803
(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
(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
(6-methyl-3-pyridinyl)-[2-(phenoxymethyl)-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridin-5-yl]methanone
CID 66612485

Frequently Asked Questions

What is the IUPAC name of (6-amino-3-pyridinyl)-[2-[methoxy(phenyl)methyl]-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]methanone?
The IUPAC name of (6-amino-3-pyridinyl)-[2-[methoxy(phenyl)methyl]-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]methanone (CID 171385718) is (6-amino-3-pyridinyl)-[2-[methoxy(phenyl)methyl]-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]methanone.
What is the SMILES notation for (6-amino-3-pyridinyl)-[2-[methoxy(phenyl)methyl]-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]methanone?
The canonical SMILES for (6-amino-3-pyridinyl)-[2-[methoxy(phenyl)methyl]-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]methanone is COC(c1ccccc1)c1nc2c(o1)CCN(C(=O)c1ccc(N)nc1)C2.
What is the InChIKey of (6-amino-3-pyridinyl)-[2-[methoxy(phenyl)methyl]-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]methanone?
The InChIKey is PDAXSPIJZDYCPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O3/c1-26-18(13-5-3-2-4-6-13)19-23-15-12-24(10-9-16(15)27-19)20(25)14-7-8-17(21)22-11-14/h2-8,11,18H,9-10,12H2,1H3,(H2,21,22).
What are the key properties of (6-amino-3-pyridinyl)-[2-[methoxy(phenyl)methyl]-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]methanone?
(6-amino-3-pyridinyl)-[2-[methoxy(phenyl)methyl]-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]methanone has a molecular weight of 364.41 g/mol, XLogP of 2.59, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (6-amino-3-pyridinyl)-[2-[methoxy(phenyl)methyl]-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]methanone is sourced from PubChem (CID 171385718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).