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

C21H17ClN4O3 — CID 135946610

IUPAC6-[[5-(4-chlorophenyl)-1,2-oxazol-3-yl]methyl]-2-(furan-2-yl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
SMILESO=c1[nH]c(-c2ccco2)nc2c1CN(Cc1cc(-c3ccc(Cl)cc3)on1)CC2
InChIInChI=1S/C21H17ClN4O3/c22-14-5-3-13(4-6-14)19-10-15(25-29-19)11-26-8-7-17-16(12-26)21(27)24-20(23-17)18-2-1-9-28-18/h1-6,9-10H,7-8,11-12H2,(H,23,24,27)
InChIKeyFAHNNYPSJNXLOM-UHFFFAOYSA-N
MW408.85 g/mol
LogP3.90
Rot. Bonds4

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

6-[[5-(4-chlorophenyl)-1,2-oxazol-3-yl]methyl]-2-(furan-2-yl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one (PubChem CID 135946610) has the molecular formula C21H17ClN4O3 and a molecular weight of 408.85 g/mol. Its IUPAC name is 6-[[5-(4-chlorophenyl)-1,2-oxazol-3-yl]methyl]-2-(furan-2-yl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name6-[[5-(4-chlorophenyl)-1,2-oxazol-3-yl]methyl]-2-(furan-2-yl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
PubChem CID135946610
Molecular FormulaC21H17ClN4O3
Molecular Weight408.85 g/mol
Exact Mass408.10
IUPAC Name6-[[5-(4-chlorophenyl)-1,2-oxazol-3-yl]methyl]-2-(furan-2-yl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
SMILESO=c1[nH]c(-c2ccco2)nc2c1CN(Cc1cc(-c3ccc(Cl)cc3)on1)CC2
InChIInChI=1S/C21H17ClN4O3/c22-14-5-3-13(4-6-14)19-10-15(25-29-19)11-26-8-7-17-16(12-26)21(27)24-20(23-17)18-2-1-9-28-18/h1-6,9-10H,7-8,11-12H2,(H,23,24,27)
InChIKeyFAHNNYPSJNXLOM-UHFFFAOYSA-N
XLogP3.90
TPSA88.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.85
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

6-[[2-(4-chlorophenyl)-1H-indol-3-yl]methyl]-2-(furan-2-yl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135861662
2-(furan-2-yl)-6-[(2-methyl-1,3-thiazol-4-yl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135947150
6-[(2,6-difluorophenyl)methyl]-2-(furan-2-yl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135917298
2-(furan-2-yl)-6-[(1-methylimidazol-4-yl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135944770
2-(furan-2-yl)-6-[(4-propylphenyl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135920111
6-benzyl-2-(4-chlorophenyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 137091053
6-[[5-(4-chlorophenyl)-1,2-oxazol-3-yl]methyl]-2-sulfanylidene-1,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 24922585
2-(furan-2-yl)-6-[(4-methylsulfanylphenyl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135920031
7-[(3,5-dichlorophenyl)methyl]-2-(furan-2-yl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 135865133
2-(furan-2-yl)-6-[(4-piperidin-1-ylphenyl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135919254
7-[(2-chloro-3,6-difluorophenyl)methyl]-2-(furan-2-yl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 135864135
5-[[2-(furan-2-yl)-4-oxo-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-6-yl]methyl]furan-2-sulfonate
CID 135860937

Frequently Asked Questions

What is the IUPAC name of 6-[[5-(4-chlorophenyl)-1,2-oxazol-3-yl]methyl]-2-(furan-2-yl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
The IUPAC name of 6-[[5-(4-chlorophenyl)-1,2-oxazol-3-yl]methyl]-2-(furan-2-yl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one (CID 135946610) is 6-[[5-(4-chlorophenyl)-1,2-oxazol-3-yl]methyl]-2-(furan-2-yl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one.
What is the SMILES notation for 6-[[5-(4-chlorophenyl)-1,2-oxazol-3-yl]methyl]-2-(furan-2-yl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
The canonical SMILES for 6-[[5-(4-chlorophenyl)-1,2-oxazol-3-yl]methyl]-2-(furan-2-yl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one is O=c1[nH]c(-c2ccco2)nc2c1CN(Cc1cc(-c3ccc(Cl)cc3)on1)CC2.
What is the InChIKey of 6-[[5-(4-chlorophenyl)-1,2-oxazol-3-yl]methyl]-2-(furan-2-yl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
The InChIKey is FAHNNYPSJNXLOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17ClN4O3/c22-14-5-3-13(4-6-14)19-10-15(25-29-19)11-26-8-7-17-16(12-26)21(27)24-20(23-17)18-2-1-9-28-18/h1-6,9-10H,7-8,11-12H2,(H,23,24,27).
What are the key properties of 6-[[5-(4-chlorophenyl)-1,2-oxazol-3-yl]methyl]-2-(furan-2-yl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
6-[[5-(4-chlorophenyl)-1,2-oxazol-3-yl]methyl]-2-(furan-2-yl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one has a molecular weight of 408.85 g/mol, XLogP of 3.90, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[5-(4-chlorophenyl)-1,2-oxazol-3-yl]methyl]-2-(furan-2-yl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one is sourced from PubChem (CID 135946610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).