6-(1,3-oxazol-2-ylmethyl)-2-phenyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one

C17H16N4O2 — CID 135944803

IUPAC6-(1,3-oxazol-2-ylmethyl)-2-phenyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
SMILESO=c1[nH]c(-c2ccccc2)nc2c1CN(Cc1ncco1)CC2
InChIInChI=1S/C17H16N4O2/c22-17-13-10-21(11-15-18-7-9-23-15)8-6-14(13)19-16(20-17)12-4-2-1-3-5-12/h1-5,7,9H,6,8,10-11H2,(H,19,20,22)
InChIKeyBGDWMUCFUCJRQP-UHFFFAOYSA-N
MW308.34 g/mol
LogP1.98
Rot. Bonds3

About 6-(1,3-oxazol-2-ylmethyl)-2-phenyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one

6-(1,3-oxazol-2-ylmethyl)-2-phenyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one (PubChem CID 135944803) has the molecular formula C17H16N4O2 and a molecular weight of 308.34 g/mol. Its IUPAC name is 6-(1,3-oxazol-2-ylmethyl)-2-phenyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name6-(1,3-oxazol-2-ylmethyl)-2-phenyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
PubChem CID135944803
Molecular FormulaC17H16N4O2
Molecular Weight308.34 g/mol
Exact Mass308.13
IUPAC Name6-(1,3-oxazol-2-ylmethyl)-2-phenyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
SMILESO=c1[nH]c(-c2ccccc2)nc2c1CN(Cc1ncco1)CC2
InChIInChI=1S/C17H16N4O2/c22-17-13-10-21(11-15-18-7-9-23-15)8-6-14(13)19-16(20-17)12-4-2-1-3-5-12/h1-5,7,9H,6,8,10-11H2,(H,19,20,22)
InChIKeyBGDWMUCFUCJRQP-UHFFFAOYSA-N
XLogP1.98
TPSA75.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.34
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(1,3-oxazol-2-ylmethyl)-2-phenyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
The IUPAC name of 6-(1,3-oxazol-2-ylmethyl)-2-phenyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one (CID 135944803) is 6-(1,3-oxazol-2-ylmethyl)-2-phenyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one.
What is the SMILES notation for 6-(1,3-oxazol-2-ylmethyl)-2-phenyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
The canonical SMILES for 6-(1,3-oxazol-2-ylmethyl)-2-phenyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one is O=c1[nH]c(-c2ccccc2)nc2c1CN(Cc1ncco1)CC2.
What is the InChIKey of 6-(1,3-oxazol-2-ylmethyl)-2-phenyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
The InChIKey is BGDWMUCFUCJRQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O2/c22-17-13-10-21(11-15-18-7-9-23-15)8-6-14(13)19-16(20-17)12-4-2-1-3-5-12/h1-5,7,9H,6,8,10-11H2,(H,19,20,22).
What are the key properties of 6-(1,3-oxazol-2-ylmethyl)-2-phenyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
6-(1,3-oxazol-2-ylmethyl)-2-phenyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one has a molecular weight of 308.34 g/mol, XLogP of 1.98, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1,3-oxazol-2-ylmethyl)-2-phenyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one is sourced from PubChem (CID 135944803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).