4-[(2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]-2-phenyl-1,3-oxazole

C18H18N4O — CID 47053585

IUPAC4-[(2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]-2-phenyl-1,3-oxazole
SMILESCc1ncc2c(n1)CCN(Cc1coc(-c3ccccc3)n1)C2
InChIInChI=1S/C18H18N4O/c1-13-19-9-15-10-22(8-7-17(15)20-13)11-16-12-23-18(21-16)14-5-3-2-4-6-14/h2-6,9,12H,7-8,10-11H2,1H3
InChIKeyOAMQRFUCKOOJDA-UHFFFAOYSA-N
MW306.37 g/mol
LogP3.00
Rot. Bonds3

About 4-[(2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]-2-phenyl-1,3-oxazole

4-[(2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]-2-phenyl-1,3-oxazole (PubChem CID 47053585) has the molecular formula C18H18N4O and a molecular weight of 306.37 g/mol. Its IUPAC name is 4-[(2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]-2-phenyl-1,3-oxazole.

Molecular Properties

Compound Name4-[(2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]-2-phenyl-1,3-oxazole
PubChem CID47053585
Molecular FormulaC18H18N4O
Molecular Weight306.37 g/mol
Exact Mass306.15
IUPAC Name4-[(2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]-2-phenyl-1,3-oxazole
SMILESCc1ncc2c(n1)CCN(Cc1coc(-c3ccccc3)n1)C2
InChIInChI=1S/C18H18N4O/c1-13-19-9-15-10-22(8-7-17(15)20-13)11-16-12-23-18(21-16)14-5-3-2-4-6-14/h2-6,9,12H,7-8,10-11H2,1H3
InChIKeyOAMQRFUCKOOJDA-UHFFFAOYSA-N
XLogP3.00
TPSA55.05 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[(2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]-2-phenyl-1,3-oxazole?
The IUPAC name of 4-[(2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]-2-phenyl-1,3-oxazole (CID 47053585) is 4-[(2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]-2-phenyl-1,3-oxazole.
What is the SMILES notation for 4-[(2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]-2-phenyl-1,3-oxazole?
The canonical SMILES for 4-[(2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]-2-phenyl-1,3-oxazole is Cc1ncc2c(n1)CCN(Cc1coc(-c3ccccc3)n1)C2.
What is the InChIKey of 4-[(2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]-2-phenyl-1,3-oxazole?
The InChIKey is OAMQRFUCKOOJDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O/c1-13-19-9-15-10-22(8-7-17(15)20-13)11-16-12-23-18(21-16)14-5-3-2-4-6-14/h2-6,9,12H,7-8,10-11H2,1H3.
What are the key properties of 4-[(2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]-2-phenyl-1,3-oxazole?
4-[(2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]-2-phenyl-1,3-oxazole has a molecular weight of 306.37 g/mol, XLogP of 3.00, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]-2-phenyl-1,3-oxazole is sourced from PubChem (CID 47053585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).