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

C24H22N4O — CID 24912943

IUPAC3-methyl-5-phenyl-4-[(2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]-1,2-oxazole
SMILESCc1noc(-c2ccccc2)c1CN1CCc2nc(-c3ccccc3)ncc2C1
InChIInChI=1S/C24H22N4O/c1-17-21(23(29-27-17)18-8-4-2-5-9-18)16-28-13-12-22-20(15-28)14-25-24(26-22)19-10-6-3-7-11-19/h2-11,14H,12-13,15-16H2,1H3
InChIKeyFOGGOXQKLLPOBD-UHFFFAOYSA-N
MW382.47 g/mol
LogP4.67
Rot. Bonds4

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

3-methyl-5-phenyl-4-[(2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]-1,2-oxazole (PubChem CID 24912943) has the molecular formula C24H22N4O and a molecular weight of 382.47 g/mol. Its IUPAC name is 3-methyl-5-phenyl-4-[(2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]-1,2-oxazole.

Molecular Properties

Compound Name3-methyl-5-phenyl-4-[(2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]-1,2-oxazole
PubChem CID24912943
Molecular FormulaC24H22N4O
Molecular Weight382.47 g/mol
Exact Mass382.18
IUPAC Name3-methyl-5-phenyl-4-[(2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]-1,2-oxazole
SMILESCc1noc(-c2ccccc2)c1CN1CCc2nc(-c3ccccc3)ncc2C1
InChIInChI=1S/C24H22N4O/c1-17-21(23(29-27-17)18-8-4-2-5-9-18)16-28-13-12-22-20(15-28)14-25-24(26-22)19-10-6-3-7-11-19/h2-11,14H,12-13,15-16H2,1H3
InChIKeyFOGGOXQKLLPOBD-UHFFFAOYSA-N
XLogP4.67
TPSA55.05 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.47
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

6-[(3-methyl-5-phenyl-1,2-oxazol-4-yl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine
CID 24912945
3-methyl-4-[(2-methylsulfonyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]-5-phenyl-1,2-oxazole
CID 24912950
4-[6-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]aniline
CID 24912555
2-phenyl-6-[(2-phenylpyrimidin-5-yl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24912922
6-[(3,5-dibromo-4-pyridinyl)methyl]-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24915736
4-[1,3-dimethyl-4-[(2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]pyrazol-5-yl]morpholine
CID 24912586
6-[(3-methylimidazo[1,5-a]pyridin-1-yl)methyl]-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24915169
3-phenyl-5-[(2-pyrimidin-5-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]-1,2,4-oxadiazole
CID 24917361
6-[(5-bromofuran-2-yl)methyl]-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24910108
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
5-methyl-3-phenyl-4-[[2-(2,3,4,5-tetrahydropyridin-6-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methyl]-1,2-oxazole
CID 24912545
6-[(2-chloro-6-fluorophenyl)methyl]-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24929242

Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-phenyl-4-[(2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]-1,2-oxazole?
The IUPAC name of 3-methyl-5-phenyl-4-[(2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]-1,2-oxazole (CID 24912943) is 3-methyl-5-phenyl-4-[(2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]-1,2-oxazole.
What is the SMILES notation for 3-methyl-5-phenyl-4-[(2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]-1,2-oxazole?
The canonical SMILES for 3-methyl-5-phenyl-4-[(2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]-1,2-oxazole is Cc1noc(-c2ccccc2)c1CN1CCc2nc(-c3ccccc3)ncc2C1.
What is the InChIKey of 3-methyl-5-phenyl-4-[(2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]-1,2-oxazole?
The InChIKey is FOGGOXQKLLPOBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N4O/c1-17-21(23(29-27-17)18-8-4-2-5-9-18)16-28-13-12-22-20(15-28)14-25-24(26-22)19-10-6-3-7-11-19/h2-11,14H,12-13,15-16H2,1H3.
What are the key properties of 3-methyl-5-phenyl-4-[(2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]-1,2-oxazole?
3-methyl-5-phenyl-4-[(2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]-1,2-oxazole has a molecular weight of 382.47 g/mol, XLogP of 4.67, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-phenyl-4-[(2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]-1,2-oxazole is sourced from PubChem (CID 24912943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).