4-(2,6-dichlorophenyl)sulfanyl-3-methyl-[1,2]oxazolo[5,4-d]pyrimidine

C12H7Cl2N3OS — CID 3785157

IUPAC4-(2,6-dichlorophenyl)sulfanyl-3-methyl-[1,2]oxazolo[5,4-d]pyrimidine
SMILESCc1noc2ncnc(Sc3c(Cl)cccc3Cl)c12
InChIInChI=1S/C12H7Cl2N3OS/c1-6-9-11(18-17-6)15-5-16-12(9)19-10-7(13)3-2-4-8(10)14/h2-5H,1H3
InChIKeyBDXPWYOTAXYWAU-UHFFFAOYSA-N
MW312.18 g/mol
LogP4.38
Rot. Bonds2

About 4-(2,6-dichlorophenyl)sulfanyl-3-methyl-[1,2]oxazolo[5,4-d]pyrimidine

4-(2,6-dichlorophenyl)sulfanyl-3-methyl-[1,2]oxazolo[5,4-d]pyrimidine (PubChem CID 3785157) has the molecular formula C12H7Cl2N3OS and a molecular weight of 312.18 g/mol. Its IUPAC name is 4-(2,6-dichlorophenyl)sulfanyl-3-methyl-[1,2]oxazolo[5,4-d]pyrimidine.

Molecular Properties

Compound Name4-(2,6-dichlorophenyl)sulfanyl-3-methyl-[1,2]oxazolo[5,4-d]pyrimidine
PubChem CID3785157
Molecular FormulaC12H7Cl2N3OS
Molecular Weight312.18 g/mol
Exact Mass310.97
IUPAC Name4-(2,6-dichlorophenyl)sulfanyl-3-methyl-[1,2]oxazolo[5,4-d]pyrimidine
SMILESCc1noc2ncnc(Sc3c(Cl)cccc3Cl)c12
InChIInChI=1S/C12H7Cl2N3OS/c1-6-9-11(18-17-6)15-5-16-12(9)19-10-7(13)3-2-4-8(10)14/h2-5H,1H3
InChIKeyBDXPWYOTAXYWAU-UHFFFAOYSA-N
XLogP4.38
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.18
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(2,6-dichlorophenyl)sulfanyl-3-methyl-[1,2]oxazolo[5,4-d]pyrimidine?
The IUPAC name of 4-(2,6-dichlorophenyl)sulfanyl-3-methyl-[1,2]oxazolo[5,4-d]pyrimidine (CID 3785157) is 4-(2,6-dichlorophenyl)sulfanyl-3-methyl-[1,2]oxazolo[5,4-d]pyrimidine.
What is the SMILES notation for 4-(2,6-dichlorophenyl)sulfanyl-3-methyl-[1,2]oxazolo[5,4-d]pyrimidine?
The canonical SMILES for 4-(2,6-dichlorophenyl)sulfanyl-3-methyl-[1,2]oxazolo[5,4-d]pyrimidine is Cc1noc2ncnc(Sc3c(Cl)cccc3Cl)c12.
What is the InChIKey of 4-(2,6-dichlorophenyl)sulfanyl-3-methyl-[1,2]oxazolo[5,4-d]pyrimidine?
The InChIKey is BDXPWYOTAXYWAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7Cl2N3OS/c1-6-9-11(18-17-6)15-5-16-12(9)19-10-7(13)3-2-4-8(10)14/h2-5H,1H3.
What are the key properties of 4-(2,6-dichlorophenyl)sulfanyl-3-methyl-[1,2]oxazolo[5,4-d]pyrimidine?
4-(2,6-dichlorophenyl)sulfanyl-3-methyl-[1,2]oxazolo[5,4-d]pyrimidine has a molecular weight of 312.18 g/mol, XLogP of 4.38, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,6-dichlorophenyl)sulfanyl-3-methyl-[1,2]oxazolo[5,4-d]pyrimidine is sourced from PubChem (CID 3785157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).