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

C17H21N5O3 — CID 86264689

IUPAC(3,5-dimethyl-1,2-oxazol-4-yl)-(2-morpholin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)methanone
SMILESCc1noc(C)c1C(=O)N1CCc2cnc(N3CCOCC3)nc2C1
InChIInChI=1S/C17H21N5O3/c1-11-15(12(2)25-20-11)16(23)22-4-3-13-9-18-17(19-14(13)10-22)21-5-7-24-8-6-21/h9H,3-8,10H2,1-2H3
InChIKeyLCXOXVMRBXRVIQ-UHFFFAOYSA-N
MW343.39 g/mol
LogP1.12
Rot. Bonds2

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

(3,5-dimethyl-1,2-oxazol-4-yl)-(2-morpholin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)methanone (PubChem CID 86264689) has the molecular formula C17H21N5O3 and a molecular weight of 343.39 g/mol. Its IUPAC name is (3,5-dimethyl-1,2-oxazol-4-yl)-(2-morpholin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)methanone.

Molecular Properties

Compound Name(3,5-dimethyl-1,2-oxazol-4-yl)-(2-morpholin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)methanone
PubChem CID86264689
Molecular FormulaC17H21N5O3
Molecular Weight343.39 g/mol
Exact Mass343.16
IUPAC Name(3,5-dimethyl-1,2-oxazol-4-yl)-(2-morpholin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)methanone
SMILESCc1noc(C)c1C(=O)N1CCc2cnc(N3CCOCC3)nc2C1
InChIInChI=1S/C17H21N5O3/c1-11-15(12(2)25-20-11)16(23)22-4-3-13-9-18-17(19-14(13)10-22)21-5-7-24-8-6-21/h9H,3-8,10H2,1-2H3
InChIKeyLCXOXVMRBXRVIQ-UHFFFAOYSA-N
XLogP1.12
TPSA84.59 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.39
LogP ≤ 51.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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

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Related Compounds

(3,5-dimethyl-1,2-oxazol-4-yl)-(2-morpholin-4-yl-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-8-yl)methanone
CID 131702485
(3,5-dimethyl-1,2-oxazol-4-yl)-[(1R,9R)-5-morpholin-4-yl-4,6,12-triazatricyclo[7.2.1.02,7]dodeca-2,4,6-trien-12-yl]methanone
CID 98136623
1-(2-morpholin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-2-naphthalen-1-ylethanone
CID 86264700
(3,5-dimethyl-1,2-oxazol-4-yl)-[4-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 122340830
(5-cyclopropyl-1,2-oxazol-3-yl)-(2-morpholin-4-yl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)methanone
CID 86264580
(6,7-diethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-(3,5-dimethyl-1,2-oxazol-4-yl)methanone
CID 134034104
(3,5-dimethyl-1,2-oxazol-4-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 1247460
3-(3-chlorophenyl)-1-(2-morpholin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)propan-1-one
CID 91813692
[(1R)-cyclohex-3-en-1-yl]-(2-morpholin-4-yl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)methanone
CID 99984455
8,9-dihydro-6H-pyrido[4,3-b][1,8]naphthyridin-7-yl-(3,5-dimethyl-1,2-oxazol-4-yl)methanone
CID 163348712
1-[2-[6-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]piperidin-1-yl]ethanone
CID 110240675
[2-(4-cyclobutylpiperazin-1-yl)-5,6,8,9-tetrahydropyrimido[4,5-d]azepin-7-yl]-[3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazol-4-yl]methanone
CID 59670450

Frequently Asked Questions

What is the IUPAC name of (3,5-dimethyl-1,2-oxazol-4-yl)-(2-morpholin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)methanone?
The IUPAC name of (3,5-dimethyl-1,2-oxazol-4-yl)-(2-morpholin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)methanone (CID 86264689) is (3,5-dimethyl-1,2-oxazol-4-yl)-(2-morpholin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)methanone.
What is the SMILES notation for (3,5-dimethyl-1,2-oxazol-4-yl)-(2-morpholin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)methanone?
The canonical SMILES for (3,5-dimethyl-1,2-oxazol-4-yl)-(2-morpholin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)methanone is Cc1noc(C)c1C(=O)N1CCc2cnc(N3CCOCC3)nc2C1.
What is the InChIKey of (3,5-dimethyl-1,2-oxazol-4-yl)-(2-morpholin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)methanone?
The InChIKey is LCXOXVMRBXRVIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5O3/c1-11-15(12(2)25-20-11)16(23)22-4-3-13-9-18-17(19-14(13)10-22)21-5-7-24-8-6-21/h9H,3-8,10H2,1-2H3.
What are the key properties of (3,5-dimethyl-1,2-oxazol-4-yl)-(2-morpholin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)methanone?
(3,5-dimethyl-1,2-oxazol-4-yl)-(2-morpholin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)methanone has a molecular weight of 343.39 g/mol, XLogP of 1.12, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dimethyl-1,2-oxazol-4-yl)-(2-morpholin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)methanone is sourced from PubChem (CID 86264689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).