4-[2-[3-(methoxymethoxy)phenyl]-7-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]pyrido[3,2-d]pyrimidin-4-yl]morpholine

C25H27N5O5 — CID 90037160

IUPAC4-[2-[3-(methoxymethoxy)phenyl]-7-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]pyrido[3,2-d]pyrimidin-4-yl]morpholine
SMILESCOCOc1cccc(-c2nc(N3CCOCC3)c3ncc(Cc4cc(COC)on4)cc3n2)c1
InChIInChI=1S/C25H27N5O5/c1-31-15-21-13-19(29-35-21)10-17-11-22-23(26-14-17)25(30-6-8-33-9-7-30)28-24(27-22)18-4-3-5-20(12-18)34-16-32-2/h3-5,11-14H,6-10,15-16H2,1-2H3
InChIKeyDLZLVUSAYLNLTH-UHFFFAOYSA-N
MW477.52 g/mol
LogP3.24
Rot. Bonds9

About 4-[2-[3-(methoxymethoxy)phenyl]-7-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]pyrido[3,2-d]pyrimidin-4-yl]morpholine

4-[2-[3-(methoxymethoxy)phenyl]-7-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]pyrido[3,2-d]pyrimidin-4-yl]morpholine (PubChem CID 90037160) has the molecular formula C25H27N5O5 and a molecular weight of 477.52 g/mol. Its IUPAC name is 4-[2-[3-(methoxymethoxy)phenyl]-7-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]pyrido[3,2-d]pyrimidin-4-yl]morpholine.

Molecular Properties

Compound Name4-[2-[3-(methoxymethoxy)phenyl]-7-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]pyrido[3,2-d]pyrimidin-4-yl]morpholine
PubChem CID90037160
Molecular FormulaC25H27N5O5
Molecular Weight477.52 g/mol
Exact Mass477.20
IUPAC Name4-[2-[3-(methoxymethoxy)phenyl]-7-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]pyrido[3,2-d]pyrimidin-4-yl]morpholine
SMILESCOCOc1cccc(-c2nc(N3CCOCC3)c3ncc(Cc4cc(COC)on4)cc3n2)c1
InChIInChI=1S/C25H27N5O5/c1-31-15-21-13-19(29-35-21)10-17-11-22-23(26-14-17)25(30-6-8-33-9-7-30)28-24(27-22)18-4-3-5-20(12-18)34-16-32-2/h3-5,11-14H,6-10,15-16H2,1-2H3
InChIKeyDLZLVUSAYLNLTH-UHFFFAOYSA-N
XLogP3.24
TPSA104.86 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.52
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

8-{2-[5-(3,5-dimethylisoxazol-4-yl)-4-phenyl-1H-imidazol-1-yl]ethoxy}quinoline
CID 50958962
2-{4-[3-(3-Methoxyphenyl)-[1,2]oxazolo[5,4-D]pyrimidin-4-YL]piperazin-1-YL}pyrimidine
CID 46359550
1-[3-(3-Methoxyphenyl)-[1,2]oxazolo[5,4-D]pyrimidin-4-YL]-4-(pyridin-2-YL)piperazine
CID 46359568
3-Methyl-5-[2-methyl-4-[4-(quinolin-2-ylmethoxy)phenyl]pyrimidin-5-yl]-1,2-oxazole
CID 11668658
4-Ethoxy-6-(5-methyl-3-phenyl-1,2-oxazol-4-yl)pteridin-2-amine
CID 24794459
1-[4-(3-Methoxyphenyl)-2-morpholin-4-yl-6-(pyridin-3-ylamino)pyrimidin-5-yl]ethanone
CID 57605168
Ethyl 4-(3-methoxyphenyl)-2-morpholin-4-yl-6-(pyridin-3-ylamino)pyrimidine-5-carboxylate
CID 59789712
6-(5-Methyl-3-phenyl-1,2-oxazol-4-yl)-4-morpholin-4-ylpteridin-2-amine
CID 68774082
1-(3-{[2-(4-amino-furazan-3-yl)-1-ethyl-1H-imidazo[4,5-c]pyridin-6-yl]oxy}phenyl)-4-(4-morpholinyl)-1-butanone
CID 68870307
1-(3-{[2-(4-amino-furazan-3-yl)-1-ethyl-1H-imidazo[4,5-c]pyridin-6-yl]oxy}phenyl)-2-methyl-4-(4-morpholinyl)-1-butanone
CID 68873842
(NE)-N-[2-[2-[3-(methoxymethoxy)phenyl]-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-7-yl]ethylidene]hydroxylamine
CID 90038108
4-[7-(2,2-Dimethyl-1,3-dioxolan-4-yl)-2-[3-(methoxymethoxy)phenyl]pyrido[3,2-d]pyrimidin-4-yl]morpholine
CID 90038187

Frequently Asked Questions

What is the IUPAC name of 4-[2-[3-(methoxymethoxy)phenyl]-7-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]pyrido[3,2-d]pyrimidin-4-yl]morpholine?
The IUPAC name of 4-[2-[3-(methoxymethoxy)phenyl]-7-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]pyrido[3,2-d]pyrimidin-4-yl]morpholine (CID 90037160) is 4-[2-[3-(methoxymethoxy)phenyl]-7-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]pyrido[3,2-d]pyrimidin-4-yl]morpholine.
What is the SMILES notation for 4-[2-[3-(methoxymethoxy)phenyl]-7-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]pyrido[3,2-d]pyrimidin-4-yl]morpholine?
The canonical SMILES for 4-[2-[3-(methoxymethoxy)phenyl]-7-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]pyrido[3,2-d]pyrimidin-4-yl]morpholine is COCOc1cccc(-c2nc(N3CCOCC3)c3ncc(Cc4cc(COC)on4)cc3n2)c1.
What is the InChIKey of 4-[2-[3-(methoxymethoxy)phenyl]-7-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]pyrido[3,2-d]pyrimidin-4-yl]morpholine?
The InChIKey is DLZLVUSAYLNLTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N5O5/c1-31-15-21-13-19(29-35-21)10-17-11-22-23(26-14-17)25(30-6-8-33-9-7-30)28-24(27-22)18-4-3-5-20(12-18)34-16-32-2/h3-5,11-14H,6-10,15-16H2,1-2H3.
What are the key properties of 4-[2-[3-(methoxymethoxy)phenyl]-7-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]pyrido[3,2-d]pyrimidin-4-yl]morpholine?
4-[2-[3-(methoxymethoxy)phenyl]-7-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]pyrido[3,2-d]pyrimidin-4-yl]morpholine has a molecular weight of 477.52 g/mol, XLogP of 3.24, 9 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[3-(methoxymethoxy)phenyl]-7-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]pyrido[3,2-d]pyrimidin-4-yl]morpholine is sourced from PubChem (CID 90037160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).