N-(3,5-dichlorophenyl)-2-[(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)sulfanyl]acetamide

C14H10Cl2N4O2S — CID 2745818

IUPACN-(3,5-dichlorophenyl)-2-[(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)sulfanyl]acetamide
SMILESCc1noc2ncnc(SCC(=O)Nc3cc(Cl)cc(Cl)c3)c12
InChIInChI=1S/C14H10Cl2N4O2S/c1-7-12-13(22-20-7)17-6-18-14(12)23-5-11(21)19-10-3-8(15)2-9(16)4-10/h2-4,6H,5H2,1H3,(H,19,21)
InChIKeyJUPOICNYRNZWHC-UHFFFAOYSA-N
MW369.23 g/mol
LogP3.96
Rot. Bonds4

About N-(3,5-dichlorophenyl)-2-[(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)sulfanyl]acetamide

N-(3,5-dichlorophenyl)-2-[(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)sulfanyl]acetamide (PubChem CID 2745818) has the molecular formula C14H10Cl2N4O2S and a molecular weight of 369.23 g/mol. Its IUPAC name is N-(3,5-dichlorophenyl)-2-[(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-(3,5-dichlorophenyl)-2-[(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)sulfanyl]acetamide
PubChem CID2745818
Molecular FormulaC14H10Cl2N4O2S
Molecular Weight369.23 g/mol
Exact Mass367.99
IUPAC NameN-(3,5-dichlorophenyl)-2-[(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)sulfanyl]acetamide
SMILESCc1noc2ncnc(SCC(=O)Nc3cc(Cl)cc(Cl)c3)c12
InChIInChI=1S/C14H10Cl2N4O2S/c1-7-12-13(22-20-7)17-6-18-14(12)23-5-11(21)19-10-3-8(15)2-9(16)4-10/h2-4,6H,5H2,1H3,(H,19,21)
InChIKeyJUPOICNYRNZWHC-UHFFFAOYSA-N
XLogP3.96
TPSA80.91 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.23
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(3,5-dichlorophenyl)-2-[(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)sulfanyl]acetamide?
The IUPAC name of N-(3,5-dichlorophenyl)-2-[(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)sulfanyl]acetamide (CID 2745818) is N-(3,5-dichlorophenyl)-2-[(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)sulfanyl]acetamide.
What is the SMILES notation for N-(3,5-dichlorophenyl)-2-[(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)sulfanyl]acetamide?
The canonical SMILES for N-(3,5-dichlorophenyl)-2-[(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)sulfanyl]acetamide is Cc1noc2ncnc(SCC(=O)Nc3cc(Cl)cc(Cl)c3)c12.
What is the InChIKey of N-(3,5-dichlorophenyl)-2-[(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)sulfanyl]acetamide?
The InChIKey is JUPOICNYRNZWHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Cl2N4O2S/c1-7-12-13(22-20-7)17-6-18-14(12)23-5-11(21)19-10-3-8(15)2-9(16)4-10/h2-4,6H,5H2,1H3,(H,19,21).
What are the key properties of N-(3,5-dichlorophenyl)-2-[(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)sulfanyl]acetamide?
N-(3,5-dichlorophenyl)-2-[(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)sulfanyl]acetamide has a molecular weight of 369.23 g/mol, XLogP of 3.96, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dichlorophenyl)-2-[(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)sulfanyl]acetamide is sourced from PubChem (CID 2745818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).