5-chloro-2-(3-chlorophenyl)-7-methyl-[1,3]oxazolo[5,4-d]pyrimidine

C12H7Cl2N3O — CID 139231572

IUPAC5-chloro-2-(3-chlorophenyl)-7-methyl-[1,3]oxazolo[5,4-d]pyrimidine
SMILESCc1nc(Cl)nc2oc(-c3cccc(Cl)c3)nc12
InChIInChI=1S/C12H7Cl2N3O/c1-6-9-11(17-12(14)15-6)18-10(16-9)7-3-2-4-8(13)5-7/h2-5H,1H3
InChIKeyMNKTZRPQIQJEBA-UHFFFAOYSA-N
MW280.11 g/mol
LogP3.90
Rot. Bonds1

About 5-chloro-2-(3-chlorophenyl)-7-methyl-[1,3]oxazolo[5,4-d]pyrimidine

5-chloro-2-(3-chlorophenyl)-7-methyl-[1,3]oxazolo[5,4-d]pyrimidine (PubChem CID 139231572) has the molecular formula C12H7Cl2N3O and a molecular weight of 280.11 g/mol. Its IUPAC name is 5-chloro-2-(3-chlorophenyl)-7-methyl-[1,3]oxazolo[5,4-d]pyrimidine.

Molecular Properties

Compound Name5-chloro-2-(3-chlorophenyl)-7-methyl-[1,3]oxazolo[5,4-d]pyrimidine
PubChem CID139231572
Molecular FormulaC12H7Cl2N3O
Molecular Weight280.11 g/mol
Exact Mass279.00
IUPAC Name5-chloro-2-(3-chlorophenyl)-7-methyl-[1,3]oxazolo[5,4-d]pyrimidine
SMILESCc1nc(Cl)nc2oc(-c3cccc(Cl)c3)nc12
InChIInChI=1S/C12H7Cl2N3O/c1-6-9-11(17-12(14)15-6)18-10(16-9)7-3-2-4-8(13)5-7/h2-5H,1H3
InChIKeyMNKTZRPQIQJEBA-UHFFFAOYSA-N
XLogP3.90
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.11
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-2-(3-chlorophenyl)-1,3-oxazole-4-carbaldehyde
CID 102261451
2-[3-(3-chlorophenyl)phenyl]-1,3-benzoxazole
CID 166583056
2-(3-chlorophenyl)-N,7-dimethyl-1,3-benzoxazol-5-amine
CID 91676665
2-(3-chlorophenyl)-5-(dimethylamino)-1,3-oxazole-4-carbonitrile
CID 18822681
2-(3-chlorophenyl)-5-(methylamino)-1,3-oxazole-4-carbonitrile
CID 18822680
2-(3-chlorophenyl)-1,3-benzoxazol-5-amine
CID 721061
5-chloro-2-(3-chlorophenyl)-1,3-benzoxazol-6-amine
CID 115539701
7-chloro-2-(3-chlorophenyl)-1,3-benzoxazol-5-amine
CID 94980359
2-(3-chlorophenyl)-5-methyl-4-[(2-methylphenoxy)methyl]-1,3-oxazole
CID 141137433
2-(3-chlorophenyl)-4-piperazin-1-yl-1,3-benzoxazole
CID 95948401
3-tert-butyl-5-(3-chlorophenyl)-1,2,4-oxadiazole
CID 143176683
3-[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]aniline
CID 22060846

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(3-chlorophenyl)-7-methyl-[1,3]oxazolo[5,4-d]pyrimidine?
The IUPAC name of 5-chloro-2-(3-chlorophenyl)-7-methyl-[1,3]oxazolo[5,4-d]pyrimidine (CID 139231572) is 5-chloro-2-(3-chlorophenyl)-7-methyl-[1,3]oxazolo[5,4-d]pyrimidine.
What is the SMILES notation for 5-chloro-2-(3-chlorophenyl)-7-methyl-[1,3]oxazolo[5,4-d]pyrimidine?
The canonical SMILES for 5-chloro-2-(3-chlorophenyl)-7-methyl-[1,3]oxazolo[5,4-d]pyrimidine is Cc1nc(Cl)nc2oc(-c3cccc(Cl)c3)nc12.
What is the InChIKey of 5-chloro-2-(3-chlorophenyl)-7-methyl-[1,3]oxazolo[5,4-d]pyrimidine?
The InChIKey is MNKTZRPQIQJEBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7Cl2N3O/c1-6-9-11(17-12(14)15-6)18-10(16-9)7-3-2-4-8(13)5-7/h2-5H,1H3.
What are the key properties of 5-chloro-2-(3-chlorophenyl)-7-methyl-[1,3]oxazolo[5,4-d]pyrimidine?
5-chloro-2-(3-chlorophenyl)-7-methyl-[1,3]oxazolo[5,4-d]pyrimidine has a molecular weight of 280.11 g/mol, XLogP of 3.90, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-(3-chlorophenyl)-7-methyl-[1,3]oxazolo[5,4-d]pyrimidine is sourced from PubChem (CID 139231572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).