N-benzyl-N-tert-butyl-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]acetamide

C18H24N2O2S — CID 86931313

IUPACN-benzyl-N-tert-butyl-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]acetamide
SMILESCc1cc(CSCC(=O)N(Cc2ccccc2)C(C)(C)C)no1
InChIInChI=1S/C18H24N2O2S/c1-14-10-16(19-22-14)12-23-13-17(21)20(18(2,3)4)11-15-8-6-5-7-9-15/h5-10H,11-13H2,1-4H3
InChIKeyQXSMDOTUBOSPFQ-UHFFFAOYSA-N
MW332.47 g/mol
LogP4.04
Rot. Bonds6

About N-benzyl-N-tert-butyl-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]acetamide

N-benzyl-N-tert-butyl-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]acetamide (PubChem CID 86931313) has the molecular formula C18H24N2O2S and a molecular weight of 332.47 g/mol. Its IUPAC name is N-benzyl-N-tert-butyl-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]acetamide.

Molecular Properties

Compound NameN-benzyl-N-tert-butyl-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]acetamide
PubChem CID86931313
Molecular FormulaC18H24N2O2S
Molecular Weight332.47 g/mol
Exact Mass332.16
IUPAC NameN-benzyl-N-tert-butyl-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]acetamide
SMILESCc1cc(CSCC(=O)N(Cc2ccccc2)C(C)(C)C)no1
InChIInChI=1S/C18H24N2O2S/c1-14-10-16(19-22-14)12-23-13-17(21)20(18(2,3)4)11-15-8-6-5-7-9-15/h5-10H,11-13H2,1-4H3
InChIKeyQXSMDOTUBOSPFQ-UHFFFAOYSA-N
XLogP4.04
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.47
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-tert-butyl-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]acetamide?
The IUPAC name of N-benzyl-N-tert-butyl-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]acetamide (CID 86931313) is N-benzyl-N-tert-butyl-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]acetamide.
What is the SMILES notation for N-benzyl-N-tert-butyl-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]acetamide?
The canonical SMILES for N-benzyl-N-tert-butyl-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]acetamide is Cc1cc(CSCC(=O)N(Cc2ccccc2)C(C)(C)C)no1.
What is the InChIKey of N-benzyl-N-tert-butyl-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]acetamide?
The InChIKey is QXSMDOTUBOSPFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O2S/c1-14-10-16(19-22-14)12-23-13-17(21)20(18(2,3)4)11-15-8-6-5-7-9-15/h5-10H,11-13H2,1-4H3.
What are the key properties of N-benzyl-N-tert-butyl-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]acetamide?
N-benzyl-N-tert-butyl-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]acetamide has a molecular weight of 332.47 g/mol, XLogP of 4.04, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-tert-butyl-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]acetamide is sourced from PubChem (CID 86931313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).