2-[3-[4-(pyridin-4-ylmethoxy)pyrido[3,4-d]pyrimidin-2-yl]phenyl]-1,3-oxazole

C22H15N5O2 — CID 58578164

IUPAC2-[3-[4-(pyridin-4-ylmethoxy)pyrido[3,4-d]pyrimidin-2-yl]phenyl]-1,3-oxazole
SMILESc1cc(-c2nc(OCc3ccncc3)c3ccncc3n2)cc(-c2ncco2)c1
InChIInChI=1S/C22H15N5O2/c1-2-16(12-17(3-1)21-25-10-11-28-21)20-26-19-13-24-9-6-18(19)22(27-20)29-14-15-4-7-23-8-5-15/h1-13H,14H2
InChIKeyNNDCGADZOHFNFL-UHFFFAOYSA-N
MW381.40 g/mol
LogP4.32
Rot. Bonds5

About 2-[3-[4-(pyridin-4-ylmethoxy)pyrido[3,4-d]pyrimidin-2-yl]phenyl]-1,3-oxazole

2-[3-[4-(pyridin-4-ylmethoxy)pyrido[3,4-d]pyrimidin-2-yl]phenyl]-1,3-oxazole (PubChem CID 58578164) has the molecular formula C22H15N5O2 and a molecular weight of 381.40 g/mol. Its IUPAC name is 2-[3-[4-(pyridin-4-ylmethoxy)pyrido[3,4-d]pyrimidin-2-yl]phenyl]-1,3-oxazole.

Molecular Properties

Compound Name2-[3-[4-(pyridin-4-ylmethoxy)pyrido[3,4-d]pyrimidin-2-yl]phenyl]-1,3-oxazole
PubChem CID58578164
Molecular FormulaC22H15N5O2
Molecular Weight381.40 g/mol
Exact Mass381.12
IUPAC Name2-[3-[4-(pyridin-4-ylmethoxy)pyrido[3,4-d]pyrimidin-2-yl]phenyl]-1,3-oxazole
SMILESc1cc(-c2nc(OCc3ccncc3)c3ccncc3n2)cc(-c2ncco2)c1
InChIInChI=1S/C22H15N5O2/c1-2-16(12-17(3-1)21-25-10-11-28-21)20-26-19-13-24-9-6-18(19)22(27-20)29-14-15-4-7-23-8-5-15/h1-13H,14H2
InChIKeyNNDCGADZOHFNFL-UHFFFAOYSA-N
XLogP4.32
TPSA86.82 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.40
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[4-(pyridin-4-ylmethoxy)pyrido[3,4-d]pyrimidin-2-yl]phenyl]-1,3-oxazole?
The IUPAC name of 2-[3-[4-(pyridin-4-ylmethoxy)pyrido[3,4-d]pyrimidin-2-yl]phenyl]-1,3-oxazole (CID 58578164) is 2-[3-[4-(pyridin-4-ylmethoxy)pyrido[3,4-d]pyrimidin-2-yl]phenyl]-1,3-oxazole.
What is the SMILES notation for 2-[3-[4-(pyridin-4-ylmethoxy)pyrido[3,4-d]pyrimidin-2-yl]phenyl]-1,3-oxazole?
The canonical SMILES for 2-[3-[4-(pyridin-4-ylmethoxy)pyrido[3,4-d]pyrimidin-2-yl]phenyl]-1,3-oxazole is c1cc(-c2nc(OCc3ccncc3)c3ccncc3n2)cc(-c2ncco2)c1.
What is the InChIKey of 2-[3-[4-(pyridin-4-ylmethoxy)pyrido[3,4-d]pyrimidin-2-yl]phenyl]-1,3-oxazole?
The InChIKey is NNDCGADZOHFNFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15N5O2/c1-2-16(12-17(3-1)21-25-10-11-28-21)20-26-19-13-24-9-6-18(19)22(27-20)29-14-15-4-7-23-8-5-15/h1-13H,14H2.
What are the key properties of 2-[3-[4-(pyridin-4-ylmethoxy)pyrido[3,4-d]pyrimidin-2-yl]phenyl]-1,3-oxazole?
2-[3-[4-(pyridin-4-ylmethoxy)pyrido[3,4-d]pyrimidin-2-yl]phenyl]-1,3-oxazole has a molecular weight of 381.40 g/mol, XLogP of 4.32, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[4-(pyridin-4-ylmethoxy)pyrido[3,4-d]pyrimidin-2-yl]phenyl]-1,3-oxazole is sourced from PubChem (CID 58578164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).