7-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methyl]-1,3-dimethylpurine-2,6-dione

C17H14ClN5O3 — CID 17437890

IUPAC7-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methyl]-1,3-dimethylpurine-2,6-dione
SMILESCn1c(=O)c2c(ncn2Cc2ncc(-c3ccc(Cl)cc3)o2)n(C)c1=O
InChIInChI=1S/C17H14ClN5O3/c1-21-15-14(16(24)22(2)17(21)25)23(9-20-15)8-13-19-7-12(26-13)10-3-5-11(18)6-4-10/h3-7,9H,8H2,1-2H3
InChIKeyBKDMYIIMLMXFHY-UHFFFAOYSA-N
MW371.78 g/mol
LogP1.79
Rot. Bonds3

About 7-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methyl]-1,3-dimethylpurine-2,6-dione

7-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methyl]-1,3-dimethylpurine-2,6-dione (PubChem CID 17437890) has the molecular formula C17H14ClN5O3 and a molecular weight of 371.78 g/mol. Its IUPAC name is 7-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methyl]-1,3-dimethylpurine-2,6-dione.

Molecular Properties

Compound Name7-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methyl]-1,3-dimethylpurine-2,6-dione
PubChem CID17437890
Molecular FormulaC17H14ClN5O3
Molecular Weight371.78 g/mol
Exact Mass371.08
IUPAC Name7-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methyl]-1,3-dimethylpurine-2,6-dione
SMILESCn1c(=O)c2c(ncn2Cc2ncc(-c3ccc(Cl)cc3)o2)n(C)c1=O
InChIInChI=1S/C17H14ClN5O3/c1-21-15-14(16(24)22(2)17(21)25)23(9-20-15)8-13-19-7-12(26-13)10-3-5-11(18)6-4-10/h3-7,9H,8H2,1-2H3
InChIKeyBKDMYIIMLMXFHY-UHFFFAOYSA-N
XLogP1.79
TPSA87.85 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.78
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

7-[(4-chlorophenyl)methyl]-1,3-dimethylpurine-2,6-dione
CID 706880
3-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-one
CID 9353654
7-[(5-chlorothiophen-2-yl)methyl]-1,3-dimethylpurine-2,6-dione
CID 47110926
5-(4-chlorophenyl)-2-[[3-[(S)-methylsulfinyl]-1,2,4-triazol-4-yl]methyl]-1,3-oxazole
CID 96525729
3-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methyl]-6-methyl-5-phenylthieno[2,3-d]pyrimidin-4-one
CID 24596660
1,3-dimethyl-7-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]purine-2,6-dione
CID 18147410
7-[2-[[1-(4-chlorophenyl)-2-methylpropan-2-yl]amino]ethyl]-1,3-dimethylpurine-2,6-dione
CID 110175132
7-tert-butyl-5-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methylsulfanyl]-1,3-dimethylpyrimido[4,5-d]pyrimidine-2,4-dione
CID 16556651
[1-(4-chlorophenyl)-2-methylpropan-2-yl]-[2-(1,3-dimethyl-2,6-dioxopurin-7-yl)ethyl]azanium chloride
CID 110175131
7-(2-aminoethyl)-1,3-dimethylpurine-2,6-dione;hydrochloride
CID 2965224
3-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methyl]-1,2,3-benzotriazin-4-one
CID 17446636
7-(aminomethyl)-1,3-dimethylpurine-2,6-dione
CID 22105142

Frequently Asked Questions

What is the IUPAC name of 7-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methyl]-1,3-dimethylpurine-2,6-dione?
The IUPAC name of 7-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methyl]-1,3-dimethylpurine-2,6-dione (CID 17437890) is 7-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methyl]-1,3-dimethylpurine-2,6-dione.
What is the SMILES notation for 7-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methyl]-1,3-dimethylpurine-2,6-dione?
The canonical SMILES for 7-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methyl]-1,3-dimethylpurine-2,6-dione is Cn1c(=O)c2c(ncn2Cc2ncc(-c3ccc(Cl)cc3)o2)n(C)c1=O.
What is the InChIKey of 7-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methyl]-1,3-dimethylpurine-2,6-dione?
The InChIKey is BKDMYIIMLMXFHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClN5O3/c1-21-15-14(16(24)22(2)17(21)25)23(9-20-15)8-13-19-7-12(26-13)10-3-5-11(18)6-4-10/h3-7,9H,8H2,1-2H3.
What are the key properties of 7-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methyl]-1,3-dimethylpurine-2,6-dione?
7-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methyl]-1,3-dimethylpurine-2,6-dione has a molecular weight of 371.78 g/mol, XLogP of 1.79, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methyl]-1,3-dimethylpurine-2,6-dione is sourced from PubChem (CID 17437890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).