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

C17H16N2O2S — CID 9456762

IUPAC2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-N-naphthalen-2-ylacetamide
SMILESCc1nc(SCC(=O)Nc2ccc3ccccc3c2)oc1C
InChIInChI=1S/C17H16N2O2S/c1-11-12(2)21-17(18-11)22-10-16(20)19-15-8-7-13-5-3-4-6-14(13)9-15/h3-9H,10H2,1-2H3,(H,19,20)
InChIKeySJLJMZUXXYTYBF-UHFFFAOYSA-N
MW312.39 g/mol
LogP4.18
Rot. Bonds4

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

2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-N-naphthalen-2-ylacetamide (PubChem CID 9456762) has the molecular formula C17H16N2O2S and a molecular weight of 312.39 g/mol. Its IUPAC name is 2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-N-naphthalen-2-ylacetamide.

Molecular Properties

Compound Name2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-N-naphthalen-2-ylacetamide
PubChem CID9456762
Molecular FormulaC17H16N2O2S
Molecular Weight312.39 g/mol
Exact Mass312.09
IUPAC Name2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-N-naphthalen-2-ylacetamide
SMILESCc1nc(SCC(=O)Nc2ccc3ccccc3c2)oc1C
InChIInChI=1S/C17H16N2O2S/c1-11-12(2)21-17(18-11)22-10-16(20)19-15-8-7-13-5-3-4-6-14(13)9-15/h3-9H,10H2,1-2H3,(H,19,20)
InChIKeySJLJMZUXXYTYBF-UHFFFAOYSA-N
XLogP4.18
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.39
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-N-naphthalen-2-ylacetamide?
The IUPAC name of 2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-N-naphthalen-2-ylacetamide (CID 9456762) is 2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-N-naphthalen-2-ylacetamide.
What is the SMILES notation for 2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-N-naphthalen-2-ylacetamide?
The canonical SMILES for 2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-N-naphthalen-2-ylacetamide is Cc1nc(SCC(=O)Nc2ccc3ccccc3c2)oc1C.
What is the InChIKey of 2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-N-naphthalen-2-ylacetamide?
The InChIKey is SJLJMZUXXYTYBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O2S/c1-11-12(2)21-17(18-11)22-10-16(20)19-15-8-7-13-5-3-4-6-14(13)9-15/h3-9H,10H2,1-2H3,(H,19,20).
What are the key properties of 2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-N-naphthalen-2-ylacetamide?
2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-N-naphthalen-2-ylacetamide has a molecular weight of 312.39 g/mol, XLogP of 4.18, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-N-naphthalen-2-ylacetamide is sourced from PubChem (CID 9456762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).