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

C23H19ClN4O — CID 24916149

IUPAC3-[[2-(4-chlorophenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methyl]-5-phenyl-1,2-oxazole
SMILESClc1ccc(-c2ncc3c(n2)CCN(Cc2cc(-c4ccccc4)on2)C3)cc1
InChIInChI=1S/C23H19ClN4O/c24-19-8-6-17(7-9-19)23-25-13-18-14-28(11-10-21(18)26-23)15-20-12-22(29-27-20)16-4-2-1-3-5-16/h1-9,12-13H,10-11,14-15H2
InChIKeyNZFSIZJKBGSZBL-UHFFFAOYSA-N
MW402.89 g/mol
LogP5.01
Rot. Bonds4

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

3-[[2-(4-chlorophenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methyl]-5-phenyl-1,2-oxazole (PubChem CID 24916149) has the molecular formula C23H19ClN4O and a molecular weight of 402.89 g/mol. Its IUPAC name is 3-[[2-(4-chlorophenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methyl]-5-phenyl-1,2-oxazole.

Molecular Properties

Compound Name3-[[2-(4-chlorophenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methyl]-5-phenyl-1,2-oxazole
PubChem CID24916149
Molecular FormulaC23H19ClN4O
Molecular Weight402.89 g/mol
Exact Mass402.12
IUPAC Name3-[[2-(4-chlorophenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methyl]-5-phenyl-1,2-oxazole
SMILESClc1ccc(-c2ncc3c(n2)CCN(Cc2cc(-c4ccccc4)on2)C3)cc1
InChIInChI=1S/C23H19ClN4O/c24-19-8-6-17(7-9-19)23-25-13-18-14-28(11-10-21(18)26-23)15-20-12-22(29-27-20)16-4-2-1-3-5-16/h1-9,12-13H,10-11,14-15H2
InChIKeyNZFSIZJKBGSZBL-UHFFFAOYSA-N
XLogP5.01
TPSA55.05 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.89
LogP ≤ 55.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-[7-[(5-phenyl-1,2-oxazol-3-yl)methyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]aniline
CID 24931133
6-[[5-(4-chlorophenyl)thiophen-2-yl]methyl]-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24911725
2-(4-chlorophenyl)-6-[(5-chlorothiophen-2-yl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24909324
6-[(2,4-dichlorophenyl)methyl]-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24928507
3-[(2-methylsulfonyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]-5-phenyl-1,2-oxazole
CID 24916142
2-(4-chlorophenyl)-6-[(2,6-dichlorophenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24928899
5-[[2-(4-chlorophenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methyl]-3-(3-fluorophenyl)-1,2-oxazole
CID 24915939
6-[(1-benzylpyrazol-4-yl)methyl]-2-(4-chlorophenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24912222
2-(4-chlorophenyl)-6-[[5-(3,4-dichlorophenyl)furan-2-yl]methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24910899
3-(4-chlorophenyl)-5-[(2-pyridin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]-1,2,4-oxadiazole
CID 24917376
2-(4-chlorophenyl)-6-[(3,4-difluorophenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24930012
5-(furan-2-yl)-3-[(2-pyrimidin-5-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]-1,2-oxazole
CID 24917424

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(4-chlorophenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methyl]-5-phenyl-1,2-oxazole?
The IUPAC name of 3-[[2-(4-chlorophenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methyl]-5-phenyl-1,2-oxazole (CID 24916149) is 3-[[2-(4-chlorophenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methyl]-5-phenyl-1,2-oxazole.
What is the SMILES notation for 3-[[2-(4-chlorophenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methyl]-5-phenyl-1,2-oxazole?
The canonical SMILES for 3-[[2-(4-chlorophenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methyl]-5-phenyl-1,2-oxazole is Clc1ccc(-c2ncc3c(n2)CCN(Cc2cc(-c4ccccc4)on2)C3)cc1.
What is the InChIKey of 3-[[2-(4-chlorophenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methyl]-5-phenyl-1,2-oxazole?
The InChIKey is NZFSIZJKBGSZBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19ClN4O/c24-19-8-6-17(7-9-19)23-25-13-18-14-28(11-10-21(18)26-23)15-20-12-22(29-27-20)16-4-2-1-3-5-16/h1-9,12-13H,10-11,14-15H2.
What are the key properties of 3-[[2-(4-chlorophenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methyl]-5-phenyl-1,2-oxazole?
3-[[2-(4-chlorophenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methyl]-5-phenyl-1,2-oxazole has a molecular weight of 402.89 g/mol, XLogP of 5.01, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(4-chlorophenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methyl]-5-phenyl-1,2-oxazole is sourced from PubChem (CID 24916149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).