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

C17H21N5O3 — CID 70770330

IUPAC(3,5-dimethyl-1,2-oxazol-4-yl)-(4-morpholin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)methanone
SMILESCc1noc(C)c1C(=O)N1CCc2c(ncnc2N2CCOCC2)C1
InChIInChI=1S/C17H21N5O3/c1-11-15(12(2)25-20-11)17(23)22-4-3-13-14(9-22)18-10-19-16(13)21-5-7-24-8-6-21/h10H,3-9H2,1-2H3
InChIKeyYVTNQENLIATODB-UHFFFAOYSA-N
MW343.39 g/mol
LogP1.12
Rot. Bonds2

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

(3,5-dimethyl-1,2-oxazol-4-yl)-(4-morpholin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)methanone (PubChem CID 70770330) 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)-(4-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)-(4-morpholin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)methanone
PubChem CID70770330
Molecular FormulaC17H21N5O3
Molecular Weight343.39 g/mol
Exact Mass343.16
IUPAC Name(3,5-dimethyl-1,2-oxazol-4-yl)-(4-morpholin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)methanone
SMILESCc1noc(C)c1C(=O)N1CCc2c(ncnc2N2CCOCC2)C1
InChIInChI=1S/C17H21N5O3/c1-11-15(12(2)25-20-11)17(23)22-4-3-13-14(9-22)18-10-19-16(13)21-5-7-24-8-6-21/h10H,3-9H2,1-2H3
InChIKeyYVTNQENLIATODB-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)-(4-morpholin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)methanone with MolForge

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Launch Full Analysis

Related Compounds

[4-(7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-2-yl)piperazin-1-yl]-(5-ethyl-3-methyl-1,2-oxazol-4-yl)methanone
CID 46967523
9-[(3,5-Dimethyl-1,2-oxazol-4-yl)methyl]-4-(5-fluoropyrimidin-2-yl)-1-oxa-4,9-diazaspiro[5.5]undecane
CID 97372291
(3,5-Dimethylisoxazol-4-yl)(3-((5-fluoropyrimidin-2-yl)oxy)piperidin-1-yl)methanone
CID 122258465
1-[(3,5-Dimethylisoxazol-4-yl)carbonyl]-4-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-1,4-diazepane
CID 138381091
4-(1-{3-Methyl-[1,2]oxazolo[5,4-D]pyrimidin-4-YL}piperidine-4-carbonyl)morpholine
CID 20929322
7-{[4-(Methoxymethyl)-5-methylisoxazol-3-yl]carbonyl}-4-morpholin-4-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine
CID 56865658
(5-methylisoxazol-3-yl)(2-morpholino-5,6-dihydropyrido[3,4-d]pyrimidin-7(8H)-yl)methanone
CID 86264655
1-[4-(methylamino)-2-[1-(5-methyl-3-propan-2-yl-1,2-oxazole-4-carbonyl)piperidin-4-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]ethanone
CID 92625564
[4-(methylamino)-2-(1-methylpiperidin-4-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-(5-methyl-3-propan-2-yl-1,2-oxazol-4-yl)methanone
CID 95832524
[4-(4-cyclobutylpiperazin-1-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-(3,5-dimethyl-1,2-oxazol-4-yl)methanone
CID 59669966
(3,5-Dimethyl-1,2-oxazol-4-yl)-(5-morpholin-4-yl-4,6,12-triazatricyclo[7.2.1.02,7]dodeca-2,4,6-trien-12-yl)methanone
CID 46961275
(3,5-dimethyl-1,2-oxazol-4-yl)-[(1R,9S)-5-morpholin-4-yl-4,6,12-triazatricyclo[7.2.1.02,7]dodeca-2,4,6-trien-12-yl]methanone
CID 51598219

Frequently Asked Questions

What is the IUPAC name of (3,5-dimethyl-1,2-oxazol-4-yl)-(4-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)-(4-morpholin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)methanone (CID 70770330) is (3,5-dimethyl-1,2-oxazol-4-yl)-(4-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)-(4-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)-(4-morpholin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)methanone is Cc1noc(C)c1C(=O)N1CCc2c(ncnc2N2CCOCC2)C1.
What is the InChIKey of (3,5-dimethyl-1,2-oxazol-4-yl)-(4-morpholin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)methanone?
The InChIKey is YVTNQENLIATODB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5O3/c1-11-15(12(2)25-20-11)17(23)22-4-3-13-14(9-22)18-10-19-16(13)21-5-7-24-8-6-21/h10H,3-9H2,1-2H3.
What are the key properties of (3,5-dimethyl-1,2-oxazol-4-yl)-(4-morpholin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)methanone?
(3,5-dimethyl-1,2-oxazol-4-yl)-(4-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)-(4-morpholin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)methanone is sourced from PubChem (CID 70770330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).