3-(3-methoxyphenyl)-N-(3-morpholin-4-ylpropyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-amine

C19H23N5O3 — CID 46359537

IUPAC3-(3-methoxyphenyl)-N-(3-morpholin-4-ylpropyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-amine
SMILESCOc1cccc(-c2noc3ncnc(NCCCN4CCOCC4)c23)c1
InChIInChI=1S/C19H23N5O3/c1-25-15-5-2-4-14(12-15)17-16-18(21-13-22-19(16)27-23-17)20-6-3-7-24-8-10-26-11-9-24/h2,4-5,12-13H,3,6-11H2,1H3,(H,20,21,22)
InChIKeyHDBKKQYAFSCRDJ-UHFFFAOYSA-N
MW369.43 g/mol
LogP2.43
Rot. Bonds7

About 3-(3-methoxyphenyl)-N-(3-morpholin-4-ylpropyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-amine

3-(3-methoxyphenyl)-N-(3-morpholin-4-ylpropyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-amine (PubChem CID 46359537) has the molecular formula C19H23N5O3 and a molecular weight of 369.43 g/mol. Its IUPAC name is 3-(3-methoxyphenyl)-N-(3-morpholin-4-ylpropyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name3-(3-methoxyphenyl)-N-(3-morpholin-4-ylpropyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-amine
PubChem CID46359537
Molecular FormulaC19H23N5O3
Molecular Weight369.43 g/mol
Exact Mass369.18
IUPAC Name3-(3-methoxyphenyl)-N-(3-morpholin-4-ylpropyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-amine
SMILESCOc1cccc(-c2noc3ncnc(NCCCN4CCOCC4)c23)c1
InChIInChI=1S/C19H23N5O3/c1-25-15-5-2-4-14(12-15)17-16-18(21-13-22-19(16)27-23-17)20-6-3-7-24-8-10-26-11-9-24/h2,4-5,12-13H,3,6-11H2,1H3,(H,20,21,22)
InChIKeyHDBKKQYAFSCRDJ-UHFFFAOYSA-N
XLogP2.43
TPSA85.54 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.43
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-(4-fluorophenyl)-N-(3-morpholin-4-ylpropyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-amine
CID 20922527
3-(2-methylphenyl)-N-(3-morpholin-4-ylpropyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-amine
CID 46359399
3-(3,5-difluorophenyl)-N-[3-(4-methylpiperazin-1-yl)propyl]-[1,2]oxazolo[5,4-d]pyrimidin-4-amine
CID 46359479
3-(3-methoxyphenyl)-N-(pyridin-3-ylmethyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-amine
CID 46359577
3-(3-chlorophenyl)-N-[3-(3-methylpiperidin-1-yl)propyl]-[1,2]oxazolo[5,4-d]pyrimidin-4-amine
CID 46359325
3-(3-chlorophenyl)-N-[3-[(3R)-3-methylpiperidin-1-yl]propyl]-[1,2]oxazolo[5,4-d]pyrimidin-4-amine
CID 92730251
N-cyclohexyl-3-(3-methoxyphenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-amine
CID 46359553
5-(3-methoxyphenyl)-N-(3-morpholin-4-ylpropyl)-1,2-oxazole-3-carboxamide
CID 17252860
6-methoxy-5-methyl-N-(3-morpholin-4-ylpropyl)pyrimidin-4-amine
CID 66324992
5-(4-methoxyphenyl)-6-(4-methylphenyl)-N-(2-morpholin-4-ylethyl)furo[2,3-d]pyrimidin-4-amine
CID 58603257
3-(3-chlorophenyl)-N-[2-(2-methoxyphenyl)ethyl]-[1,2]oxazolo[5,4-d]pyrimidin-4-amine
CID 20873327
5-(3-methoxyphenyl)-N-(2-morpholin-4-ylethyl)-1,2-oxazole-3-carboxamide
CID 3239467

Frequently Asked Questions

What is the IUPAC name of 3-(3-methoxyphenyl)-N-(3-morpholin-4-ylpropyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-amine?
The IUPAC name of 3-(3-methoxyphenyl)-N-(3-morpholin-4-ylpropyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-amine (CID 46359537) is 3-(3-methoxyphenyl)-N-(3-morpholin-4-ylpropyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-amine.
What is the SMILES notation for 3-(3-methoxyphenyl)-N-(3-morpholin-4-ylpropyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-amine?
The canonical SMILES for 3-(3-methoxyphenyl)-N-(3-morpholin-4-ylpropyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-amine is COc1cccc(-c2noc3ncnc(NCCCN4CCOCC4)c23)c1.
What is the InChIKey of 3-(3-methoxyphenyl)-N-(3-morpholin-4-ylpropyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-amine?
The InChIKey is HDBKKQYAFSCRDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O3/c1-25-15-5-2-4-14(12-15)17-16-18(21-13-22-19(16)27-23-17)20-6-3-7-24-8-10-26-11-9-24/h2,4-5,12-13H,3,6-11H2,1H3,(H,20,21,22).
What are the key properties of 3-(3-methoxyphenyl)-N-(3-morpholin-4-ylpropyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-amine?
3-(3-methoxyphenyl)-N-(3-morpholin-4-ylpropyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-amine has a molecular weight of 369.43 g/mol, XLogP of 2.43, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methoxyphenyl)-N-(3-morpholin-4-ylpropyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-amine is sourced from PubChem (CID 46359537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).