N-(2-adamantyl)-2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]acetamide

C17H24N2O2S — CID 9457861

IUPACN-(2-adamantyl)-2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]acetamide
SMILESCc1nc(SCC(=O)NC2C3CC4CC(C3)CC2C4)oc1C
InChIInChI=1S/C17H24N2O2S/c1-9-10(2)21-17(18-9)22-8-15(20)19-16-13-4-11-3-12(6-13)7-14(16)5-11/h11-14,16H,3-8H2,1-2H3,(H,19,20)
InChIKeyNAQZFJYTRYHQBQ-UHFFFAOYSA-N
MW320.46 g/mol
LogP3.32
Rot. Bonds4

About N-(2-adamantyl)-2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]acetamide

N-(2-adamantyl)-2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]acetamide (PubChem CID 9457861) has the molecular formula C17H24N2O2S and a molecular weight of 320.46 g/mol. Its IUPAC name is N-(2-adamantyl)-2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-(2-adamantyl)-2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]acetamide
PubChem CID9457861
Molecular FormulaC17H24N2O2S
Molecular Weight320.46 g/mol
Exact Mass320.16
IUPAC NameN-(2-adamantyl)-2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]acetamide
SMILESCc1nc(SCC(=O)NC2C3CC4CC(C3)CC2C4)oc1C
InChIInChI=1S/C17H24N2O2S/c1-9-10(2)21-17(18-9)22-8-15(20)19-16-13-4-11-3-12(6-13)7-14(16)5-11/h11-14,16H,3-8H2,1-2H3,(H,19,20)
InChIKeyNAQZFJYTRYHQBQ-UHFFFAOYSA-N
XLogP3.32
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.46
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-adamantyl)-2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]acetamide?
The IUPAC name of N-(2-adamantyl)-2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]acetamide (CID 9457861) is N-(2-adamantyl)-2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]acetamide.
What is the SMILES notation for N-(2-adamantyl)-2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]acetamide?
The canonical SMILES for N-(2-adamantyl)-2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]acetamide is Cc1nc(SCC(=O)NC2C3CC4CC(C3)CC2C4)oc1C.
What is the InChIKey of N-(2-adamantyl)-2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]acetamide?
The InChIKey is NAQZFJYTRYHQBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O2S/c1-9-10(2)21-17(18-9)22-8-15(20)19-16-13-4-11-3-12(6-13)7-14(16)5-11/h11-14,16H,3-8H2,1-2H3,(H,19,20).
What are the key properties of N-(2-adamantyl)-2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]acetamide?
N-(2-adamantyl)-2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]acetamide has a molecular weight of 320.46 g/mol, XLogP of 3.32, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-adamantyl)-2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]acetamide is sourced from PubChem (CID 9457861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).