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

C18H11Cl2N3O — CID 139583079

IUPAC7-chloro-5-(4-chlorophenyl)-2-(4-methylphenyl)-[1,3]oxazolo[4,5-d]pyrimidine
SMILESCc1ccc(-c2nc3nc(-c4ccc(Cl)cc4)nc(Cl)c3o2)cc1
InChIInChI=1S/C18H11Cl2N3O/c1-10-2-4-12(5-3-10)18-23-17-14(24-18)15(20)21-16(22-17)11-6-8-13(19)9-7-11/h2-9H,1H3
InChIKeyACKJBLXFSYPAFU-UHFFFAOYSA-N
MW356.21 g/mol
LogP5.57
Rot. Bonds2

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

7-chloro-5-(4-chlorophenyl)-2-(4-methylphenyl)-[1,3]oxazolo[4,5-d]pyrimidine (PubChem CID 139583079) has the molecular formula C18H11Cl2N3O and a molecular weight of 356.21 g/mol. Its IUPAC name is 7-chloro-5-(4-chlorophenyl)-2-(4-methylphenyl)-[1,3]oxazolo[4,5-d]pyrimidine.

Molecular Properties

Compound Name7-chloro-5-(4-chlorophenyl)-2-(4-methylphenyl)-[1,3]oxazolo[4,5-d]pyrimidine
PubChem CID139583079
Molecular FormulaC18H11Cl2N3O
Molecular Weight356.21 g/mol
Exact Mass355.03
IUPAC Name7-chloro-5-(4-chlorophenyl)-2-(4-methylphenyl)-[1,3]oxazolo[4,5-d]pyrimidine
SMILESCc1ccc(-c2nc3nc(-c4ccc(Cl)cc4)nc(Cl)c3o2)cc1
InChIInChI=1S/C18H11Cl2N3O/c1-10-2-4-12(5-3-10)18-23-17-14(24-18)15(20)21-16(22-17)11-6-8-13(19)9-7-11/h2-9H,1H3
InChIKeyACKJBLXFSYPAFU-UHFFFAOYSA-N
XLogP5.57
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.21
LogP ≤ 55.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-chlorophenyl)-6-methyl-1,3-benzoxazole
CID 4154393
N-[(4-methylphenyl)methyl]-2,5-diphenyl-[1,3]oxazolo[4,5-d]pyrimidin-7-amine
CID 35572888
4-chloro-2-(4-chlorophenyl)-5,6-dimethylpyrimidine
CID 60996954
4,6-dichloro-5-fluoro-2-(4-methylphenyl)pyrimidine
CID 80550164
2-(4-chlorophenyl)-5-phenyl-N-[(2R)-2-piperidin-1-ylpropyl]-[1,3]oxazolo[4,5-d]pyrimidin-7-amine
CID 96564881
4,6-dichloro-2-(4-methylphenyl)-5-propan-2-ylpyrimidine
CID 55247364
2,7-bis(4-methylphenyl)-[1,3]benzoxazolo[7,6-g][1,3]benzoxazole
CID 118531011
5-(chloromethyl)-2-(4-chlorophenyl)-4-methyl-1,3-oxazole
CID 14801704
2-[4,6-bis(4-methylphenyl)-1,3,5-triazin-2-yl]-4,6-bis(4-methylphenyl)-1,3,5-triazine
CID 59002233
1-chloro-4-methylbenzene;zinc
CID 174694335
2-(4-bromophenyl)-4,6-dichloro-5-methylpyrimidine
CID 63613484
5,7-difluoro-2-(4-methylphenyl)-1,3-benzoxazole
CID 82232090

Frequently Asked Questions

What is the IUPAC name of 7-chloro-5-(4-chlorophenyl)-2-(4-methylphenyl)-[1,3]oxazolo[4,5-d]pyrimidine?
The IUPAC name of 7-chloro-5-(4-chlorophenyl)-2-(4-methylphenyl)-[1,3]oxazolo[4,5-d]pyrimidine (CID 139583079) is 7-chloro-5-(4-chlorophenyl)-2-(4-methylphenyl)-[1,3]oxazolo[4,5-d]pyrimidine.
What is the SMILES notation for 7-chloro-5-(4-chlorophenyl)-2-(4-methylphenyl)-[1,3]oxazolo[4,5-d]pyrimidine?
The canonical SMILES for 7-chloro-5-(4-chlorophenyl)-2-(4-methylphenyl)-[1,3]oxazolo[4,5-d]pyrimidine is Cc1ccc(-c2nc3nc(-c4ccc(Cl)cc4)nc(Cl)c3o2)cc1.
What is the InChIKey of 7-chloro-5-(4-chlorophenyl)-2-(4-methylphenyl)-[1,3]oxazolo[4,5-d]pyrimidine?
The InChIKey is ACKJBLXFSYPAFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11Cl2N3O/c1-10-2-4-12(5-3-10)18-23-17-14(24-18)15(20)21-16(22-17)11-6-8-13(19)9-7-11/h2-9H,1H3.
What are the key properties of 7-chloro-5-(4-chlorophenyl)-2-(4-methylphenyl)-[1,3]oxazolo[4,5-d]pyrimidine?
7-chloro-5-(4-chlorophenyl)-2-(4-methylphenyl)-[1,3]oxazolo[4,5-d]pyrimidine has a molecular weight of 356.21 g/mol, XLogP of 5.57, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-5-(4-chlorophenyl)-2-(4-methylphenyl)-[1,3]oxazolo[4,5-d]pyrimidine is sourced from PubChem (CID 139583079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).