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

C18H15N5O2 — CID 46359577

IUPAC3-(3-methoxyphenyl)-N-(pyridin-3-ylmethyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-amine
SMILESCOc1cccc(-c2noc3ncnc(NCc4cccnc4)c23)c1
InChIInChI=1S/C18H15N5O2/c1-24-14-6-2-5-13(8-14)16-15-17(21-11-22-18(15)25-23-16)20-10-12-4-3-7-19-9-12/h2-9,11H,10H2,1H3,(H,20,21,22)
InChIKeyOXCFUBZRLYJBNZ-UHFFFAOYSA-N
MW333.35 g/mol
LogP3.30
Rot. Bonds5

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

3-(3-methoxyphenyl)-N-(pyridin-3-ylmethyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-amine (PubChem CID 46359577) has the molecular formula C18H15N5O2 and a molecular weight of 333.35 g/mol. Its IUPAC name is 3-(3-methoxyphenyl)-N-(pyridin-3-ylmethyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name3-(3-methoxyphenyl)-N-(pyridin-3-ylmethyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-amine
PubChem CID46359577
Molecular FormulaC18H15N5O2
Molecular Weight333.35 g/mol
Exact Mass333.12
IUPAC Name3-(3-methoxyphenyl)-N-(pyridin-3-ylmethyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-amine
SMILESCOc1cccc(-c2noc3ncnc(NCc4cccnc4)c23)c1
InChIInChI=1S/C18H15N5O2/c1-24-14-6-2-5-13(8-14)16-15-17(21-11-22-18(15)25-23-16)20-10-12-4-3-7-19-9-12/h2-9,11H,10H2,1H3,(H,20,21,22)
InChIKeyOXCFUBZRLYJBNZ-UHFFFAOYSA-N
XLogP3.30
TPSA85.96 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.35
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3-(3-methoxyphenyl)-N-propyl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine
CID 46359565
3-(3-methoxyphenyl)-N-(3-morpholin-4-ylpropyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-amine
CID 46359537
N-cyclohexyl-3-(3-methoxyphenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-amine
CID 46359553
4-N-(2,4-dimethoxyphenyl)-6-N-(pyridin-3-ylmethyl)pyrimidine-4,5,6-triamine
CID 22542762
3-(3-methoxyphenyl)-N-[(4-pyridin-3-ylphenyl)methyl]-1,2,4-oxadiazol-5-amine
CID 133332822
4-(3-methoxyphenyl)-N-(pyridin-3-ylmethyl)-6-(trichloromethyl)-1,3,5-triazin-2-amine
CID 118250410
3-(3-chlorophenyl)-N-[2-(2-methoxyphenyl)ethyl]-[1,2]oxazolo[5,4-d]pyrimidin-4-amine
CID 20873327
3-(3,5-difluorophenyl)-N-[(4-fluorophenyl)methyl]-[1,2]oxazolo[5,4-d]pyrimidin-4-amine
CID 46359472
N-benzyl-6-(3-methoxyphenyl)-2-pyridin-3-ylquinazolin-4-amine
CID 71181024
N-[[2-(3-methoxyphenyl)-1,3-thiazol-4-yl]methyl]-1-pyridin-3-ylmethanamine
CID 56810052
N-[[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]-1-pyridin-3-ylmethanamine
CID 110652765
6-N-(2-methoxyethyl)-4-N-(pyridin-3-ylmethyl)pyrimidine-4,5,6-triamine
CID 22542825

Frequently Asked Questions

What is the IUPAC name of 3-(3-methoxyphenyl)-N-(pyridin-3-ylmethyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-amine?
The IUPAC name of 3-(3-methoxyphenyl)-N-(pyridin-3-ylmethyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-amine (CID 46359577) is 3-(3-methoxyphenyl)-N-(pyridin-3-ylmethyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-amine.
What is the SMILES notation for 3-(3-methoxyphenyl)-N-(pyridin-3-ylmethyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-amine?
The canonical SMILES for 3-(3-methoxyphenyl)-N-(pyridin-3-ylmethyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-amine is COc1cccc(-c2noc3ncnc(NCc4cccnc4)c23)c1.
What is the InChIKey of 3-(3-methoxyphenyl)-N-(pyridin-3-ylmethyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-amine?
The InChIKey is OXCFUBZRLYJBNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N5O2/c1-24-14-6-2-5-13(8-14)16-15-17(21-11-22-18(15)25-23-16)20-10-12-4-3-7-19-9-12/h2-9,11H,10H2,1H3,(H,20,21,22).
What are the key properties of 3-(3-methoxyphenyl)-N-(pyridin-3-ylmethyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-amine?
3-(3-methoxyphenyl)-N-(pyridin-3-ylmethyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-amine has a molecular weight of 333.35 g/mol, XLogP of 3.30, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methoxyphenyl)-N-(pyridin-3-ylmethyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-amine is sourced from PubChem (CID 46359577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).