2-(3-methyl-1,2-oxazol-5-yl)-1-(4-morpholin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)ethanone

C17H21N5O3 — CID 70758392

IUPAC2-(3-methyl-1,2-oxazol-5-yl)-1-(4-morpholin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)ethanone
SMILESCc1cc(CC(=O)N2CCc3c(ncnc3N3CCOCC3)C2)on1
InChIInChI=1S/C17H21N5O3/c1-12-8-13(25-20-12)9-16(23)22-3-2-14-15(10-22)18-11-19-17(14)21-4-6-24-7-5-21/h8,11H,2-7,9-10H2,1H3
InChIKeyALZZGRMTFFAYSZ-UHFFFAOYSA-N
MW343.39 g/mol
LogP0.74
Rot. Bonds3

About 2-(3-methyl-1,2-oxazol-5-yl)-1-(4-morpholin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)ethanone

2-(3-methyl-1,2-oxazol-5-yl)-1-(4-morpholin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)ethanone (PubChem CID 70758392) has the molecular formula C17H21N5O3 and a molecular weight of 343.39 g/mol. Its IUPAC name is 2-(3-methyl-1,2-oxazol-5-yl)-1-(4-morpholin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)ethanone.

Molecular Properties

Compound Name2-(3-methyl-1,2-oxazol-5-yl)-1-(4-morpholin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)ethanone
PubChem CID70758392
Molecular FormulaC17H21N5O3
Molecular Weight343.39 g/mol
Exact Mass343.16
IUPAC Name2-(3-methyl-1,2-oxazol-5-yl)-1-(4-morpholin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)ethanone
SMILESCc1cc(CC(=O)N2CCc3c(ncnc3N3CCOCC3)C2)on1
InChIInChI=1S/C17H21N5O3/c1-12-8-13(25-20-12)9-16(23)22-3-2-14-15(10-22)18-11-19-17(14)21-4-6-24-7-5-21/h8,11H,2-7,9-10H2,1H3
InChIKeyALZZGRMTFFAYSZ-UHFFFAOYSA-N
XLogP0.74
TPSA84.59 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.39
LogP ≤ 50.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 2-(3-methyl-1,2-oxazol-5-yl)-1-(4-morpholin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)ethanone with MolForge

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Related Compounds

2-(2,5-dimethylphenyl)-1-(4-morpholin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)ethanone
CID 70743092
2-ethoxy-1-(4-morpholin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)ethanone
CID 56879436
1-(4-morpholin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-3-pyridin-4-ylpropan-1-one
CID 70723953
tert-butyl 4-morpholin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxylate
CID 142599627
1-(4-morpholin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-5-phenylpentan-1-one
CID 56874539
(4-methylthiadiazol-5-yl)-(4-morpholin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)methanone
CID 56863918
4-(4-morpholin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carbonyl)benzonitrile
CID 56879370
(5-chloro-3-pyridinyl)-(4-morpholin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)methanone
CID 56877933
2-(3-methyl-1,2-oxazol-5-yl)-1-pyrrolidin-1-ylethanone
CID 142572752
(4-morpholin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-[(2R)-spiro[2.3]hexan-2-yl]methanone
CID 95562719
(2-methylsulfanyl-1,3-thiazol-4-yl)-(4-morpholin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)methanone
CID 70721103
1-[4-(dimethylamino)-2-pyridin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-2-(3-methyl-1,2-oxazol-5-yl)ethanone
CID 56915774

Frequently Asked Questions

What is the IUPAC name of 2-(3-methyl-1,2-oxazol-5-yl)-1-(4-morpholin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)ethanone?
The IUPAC name of 2-(3-methyl-1,2-oxazol-5-yl)-1-(4-morpholin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)ethanone (CID 70758392) is 2-(3-methyl-1,2-oxazol-5-yl)-1-(4-morpholin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)ethanone.
What is the SMILES notation for 2-(3-methyl-1,2-oxazol-5-yl)-1-(4-morpholin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)ethanone?
The canonical SMILES for 2-(3-methyl-1,2-oxazol-5-yl)-1-(4-morpholin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)ethanone is Cc1cc(CC(=O)N2CCc3c(ncnc3N3CCOCC3)C2)on1.
What is the InChIKey of 2-(3-methyl-1,2-oxazol-5-yl)-1-(4-morpholin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)ethanone?
The InChIKey is ALZZGRMTFFAYSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5O3/c1-12-8-13(25-20-12)9-16(23)22-3-2-14-15(10-22)18-11-19-17(14)21-4-6-24-7-5-21/h8,11H,2-7,9-10H2,1H3.
What are the key properties of 2-(3-methyl-1,2-oxazol-5-yl)-1-(4-morpholin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)ethanone?
2-(3-methyl-1,2-oxazol-5-yl)-1-(4-morpholin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)ethanone has a molecular weight of 343.39 g/mol, XLogP of 0.74, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methyl-1,2-oxazol-5-yl)-1-(4-morpholin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)ethanone is sourced from PubChem (CID 70758392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).