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

C22H26N4O2 — CID 135944421

IUPAC2-tert-butyl-6-[(3-methyl-5-phenyl-1,2-oxazol-4-yl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
SMILESCc1noc(-c2ccccc2)c1CN1CCc2nc(C(C)(C)C)[nH]c(=O)c2C1
InChIInChI=1S/C22H26N4O2/c1-14-16(19(28-25-14)15-8-6-5-7-9-15)12-26-11-10-18-17(13-26)20(27)24-21(23-18)22(2,3)4/h5-9H,10-13H2,1-4H3,(H,23,24,27)
InChIKeyDOZLIWLJYOIIFS-UHFFFAOYSA-N
MW378.48 g/mol
LogP3.59
Rot. Bonds3

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

2-tert-butyl-6-[(3-methyl-5-phenyl-1,2-oxazol-4-yl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one (PubChem CID 135944421) has the molecular formula C22H26N4O2 and a molecular weight of 378.48 g/mol. Its IUPAC name is 2-tert-butyl-6-[(3-methyl-5-phenyl-1,2-oxazol-4-yl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-tert-butyl-6-[(3-methyl-5-phenyl-1,2-oxazol-4-yl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
PubChem CID135944421
Molecular FormulaC22H26N4O2
Molecular Weight378.48 g/mol
Exact Mass378.21
IUPAC Name2-tert-butyl-6-[(3-methyl-5-phenyl-1,2-oxazol-4-yl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
SMILESCc1noc(-c2ccccc2)c1CN1CCc2nc(C(C)(C)C)[nH]c(=O)c2C1
InChIInChI=1S/C22H26N4O2/c1-14-16(19(28-25-14)15-8-6-5-7-9-15)12-26-11-10-18-17(13-26)20(27)24-21(23-18)22(2,3)4/h5-9H,10-13H2,1-4H3,(H,23,24,27)
InChIKeyDOZLIWLJYOIIFS-UHFFFAOYSA-N
XLogP3.59
TPSA75.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.48
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-cyclohexyl-6-[(3-methyl-5-phenyl-1,2-oxazol-4-yl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135944435
2-tert-butyl-6-[(2-phenyl-1H-indol-3-yl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135942423
2-tert-butyl-6-[(2,6-difluorophenyl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135917289
2-tert-butyl-6-[(2,6-dimethoxyphenyl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135917329
2-tert-butyl-6-[(5-methylthiophen-2-yl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135861176
2-tert-butyl-6-[(3-methyl-1-phenyl-5-piperidin-1-ylpyrazol-4-yl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135942823
6-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methyl]-2-methylsulfanyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135944038
2-tert-butyl-6-[(3-methylimidazo[1,5-a]pyridin-1-yl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135946541
2-tert-butyl-6-[(3-methyl-1-benzothiophen-2-yl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135861813
3-methyl-5-phenyl-4-[(2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]-1,2-oxazole
CID 24912943
2-tert-butyl-6-[(3,5-dichloro-4-pyridinyl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135945121
2-tert-butyl-6-[(2,5-dimethyl-1-phenylpyrrol-3-yl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135861733

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-6-[(3-methyl-5-phenyl-1,2-oxazol-4-yl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
The IUPAC name of 2-tert-butyl-6-[(3-methyl-5-phenyl-1,2-oxazol-4-yl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one (CID 135944421) is 2-tert-butyl-6-[(3-methyl-5-phenyl-1,2-oxazol-4-yl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one.
What is the SMILES notation for 2-tert-butyl-6-[(3-methyl-5-phenyl-1,2-oxazol-4-yl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
The canonical SMILES for 2-tert-butyl-6-[(3-methyl-5-phenyl-1,2-oxazol-4-yl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one is Cc1noc(-c2ccccc2)c1CN1CCc2nc(C(C)(C)C)[nH]c(=O)c2C1.
What is the InChIKey of 2-tert-butyl-6-[(3-methyl-5-phenyl-1,2-oxazol-4-yl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
The InChIKey is DOZLIWLJYOIIFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O2/c1-14-16(19(28-25-14)15-8-6-5-7-9-15)12-26-11-10-18-17(13-26)20(27)24-21(23-18)22(2,3)4/h5-9H,10-13H2,1-4H3,(H,23,24,27).
What are the key properties of 2-tert-butyl-6-[(3-methyl-5-phenyl-1,2-oxazol-4-yl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
2-tert-butyl-6-[(3-methyl-5-phenyl-1,2-oxazol-4-yl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one has a molecular weight of 378.48 g/mol, XLogP of 3.59, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-6-[(3-methyl-5-phenyl-1,2-oxazol-4-yl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one is sourced from PubChem (CID 135944421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).