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

C21H19N5O3 — CID 170506007

IUPACimidazo[1,2-a]pyrimidin-2-yl-[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)c1cn3cccnc3n1)C2
InChIInChI=1S/C21H19N5O3/c1-28-18(14-6-3-2-4-7-14)19-23-15-12-25(11-8-17(15)29-19)20(27)16-13-26-10-5-9-22-21(26)24-16/h2-7,9-10,13,18H,8,11-12H2,1H3
InChIKeyKZNIUOXQUJEGPY-UHFFFAOYSA-N
MW389.42 g/mol
LogP2.65
Rot. Bonds4

About 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

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 (PubChem CID 170506007) has the molecular formula C21H19N5O3 and a molecular weight of 389.42 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Nameimidazo[1,2-a]pyrimidin-2-yl-[2-[methoxy(phenyl)methyl]-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]methanone
PubChem CID170506007
Molecular FormulaC21H19N5O3
Molecular Weight389.42 g/mol
Exact Mass389.15
IUPAC Nameimidazo[1,2-a]pyrimidin-2-yl-[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)c1cn3cccnc3n1)C2
InChIInChI=1S/C21H19N5O3/c1-28-18(14-6-3-2-4-7-14)19-23-15-12-25(11-8-17(15)29-19)20(27)16-13-26-10-5-9-22-21(26)24-16/h2-7,9-10,13,18H,8,11-12H2,1H3
InChIKeyKZNIUOXQUJEGPY-UHFFFAOYSA-N
XLogP2.65
TPSA85.76 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.42
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

[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
(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-[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
(6-amino-3-pyridinyl)-[2-[methoxy(phenyl)methyl]-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]methanone
CID 171385718
[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
[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
azepan-1-yl(imidazo[1,2-a]pyrimidin-2-yl)methanone
CID 94146892
2-[1-(imidazo[1,2-a]pyrimidine-2-carbonyl)piperidin-4-yl]-N-[(1R)-1-phenylethyl]acetamide
CID 92633913
(2-amino-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)-pyridin-2-ylmethanone
CID 115273392
(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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is COC(c1ccccc1)c1nc2c(o1)CCN(C(=O)c1cn3cccnc3n1)C2.
What is the InChIKey of 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?
The InChIKey is KZNIUOXQUJEGPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N5O3/c1-28-18(14-6-3-2-4-7-14)19-23-15-12-25(11-8-17(15)29-19)20(27)16-13-26-10-5-9-22-21(26)24-16/h2-7,9-10,13,18H,8,11-12H2,1H3.
What are the key properties of 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?
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 has a molecular weight of 389.42 g/mol, XLogP of 2.65, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 170506007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).