2-[[5-(1-adamantyl)-1,3-benzoxazol-2-yl]sulfanyl]acetamide

C19H22N2O2S — CID 3164028

IUPAC2-[[5-(1-adamantyl)-1,3-benzoxazol-2-yl]sulfanyl]acetamide
SMILESNC(=O)CSc1nc2cc(C34CC5CC(CC(C5)C3)C4)ccc2o1
InChIInChI=1S/C19H22N2O2S/c20-17(22)10-24-18-21-15-6-14(1-2-16(15)23-18)19-7-11-3-12(8-19)5-13(4-11)9-19/h1-2,6,11-13H,3-5,7-10H2,(H2,20,22)
InChIKeyLZQIVYDPHFLLNQ-UHFFFAOYSA-N
MW342.46 g/mol
LogP3.87
Rot. Bonds4

About 2-[[5-(1-adamantyl)-1,3-benzoxazol-2-yl]sulfanyl]acetamide

2-[[5-(1-adamantyl)-1,3-benzoxazol-2-yl]sulfanyl]acetamide (PubChem CID 3164028) has the molecular formula C19H22N2O2S and a molecular weight of 342.46 g/mol. Its IUPAC name is 2-[[5-(1-adamantyl)-1,3-benzoxazol-2-yl]sulfanyl]acetamide.

Molecular Properties

Compound Name2-[[5-(1-adamantyl)-1,3-benzoxazol-2-yl]sulfanyl]acetamide
PubChem CID3164028
Molecular FormulaC19H22N2O2S
Molecular Weight342.46 g/mol
Exact Mass342.14
IUPAC Name2-[[5-(1-adamantyl)-1,3-benzoxazol-2-yl]sulfanyl]acetamide
SMILESNC(=O)CSc1nc2cc(C34CC5CC(CC(C5)C3)C4)ccc2o1
InChIInChI=1S/C19H22N2O2S/c20-17(22)10-24-18-21-15-6-14(1-2-16(15)23-18)19-7-11-3-12(8-19)5-13(4-11)9-19/h1-2,6,11-13H,3-5,7-10H2,(H2,20,22)
InChIKeyLZQIVYDPHFLLNQ-UHFFFAOYSA-N
XLogP3.87
TPSA69.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.46
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[5-(1-adamantyl)-1,3-benzoxazol-2-yl]sulfanyl]-N-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)methyl]acetamide
CID 26434841
2-[[4-(1-adamantyl)phenoxy]methyl]-1,3-benzoxazole-5-carboxamide
CID 24966896
[2-(1-adamantylamino)-2-oxoethyl] 2-(1,3-benzoxazol-2-ylsulfanyl)acetate
CID 7836298
N-(1-adamantylcarbamoyl)-2-(1,3-benzoxazol-2-ylsulfanyl)acetamide
CID 4811630
N-[(1R)-1-(1-adamantyl)ethyl]-2-(1,3-benzoxazol-2-ylsulfanyl)acetamide
CID 7464685
2-[[5-[(4-methoxyphenyl)sulfamoyl]-1,3-benzoxazol-2-yl]sulfanyl]acetamide
CID 2347049
2-[(5-chloro-1,3-benzoxazol-2-yl)sulfanyl]-1-[(2S,6S)-2,6-dimethylmorpholin-4-yl]ethanone
CID 2346559
5-(1-adamantyl)-2H-benzotriazole
CID 91679573
N-hydroxy-2-[(5-methyl-1,3-benzoxazol-2-yl)sulfanyl]acetamide
CID 177370191
N-[4-(1-adamantyl)phenyl]-2-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 126739261
2-[(5-amino-1,3-benzoxazol-2-yl)sulfanyl]-N-propan-2-ylacetamide
CID 61359438
2-[(5-amino-1,3-benzoxazol-2-yl)sulfanyl]-N-ethyl-N-methylacetamide
CID 61359830

Frequently Asked Questions

What is the IUPAC name of 2-[[5-(1-adamantyl)-1,3-benzoxazol-2-yl]sulfanyl]acetamide?
The IUPAC name of 2-[[5-(1-adamantyl)-1,3-benzoxazol-2-yl]sulfanyl]acetamide (CID 3164028) is 2-[[5-(1-adamantyl)-1,3-benzoxazol-2-yl]sulfanyl]acetamide.
What is the SMILES notation for 2-[[5-(1-adamantyl)-1,3-benzoxazol-2-yl]sulfanyl]acetamide?
The canonical SMILES for 2-[[5-(1-adamantyl)-1,3-benzoxazol-2-yl]sulfanyl]acetamide is NC(=O)CSc1nc2cc(C34CC5CC(CC(C5)C3)C4)ccc2o1.
What is the InChIKey of 2-[[5-(1-adamantyl)-1,3-benzoxazol-2-yl]sulfanyl]acetamide?
The InChIKey is LZQIVYDPHFLLNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O2S/c20-17(22)10-24-18-21-15-6-14(1-2-16(15)23-18)19-7-11-3-12(8-19)5-13(4-11)9-19/h1-2,6,11-13H,3-5,7-10H2,(H2,20,22).
What are the key properties of 2-[[5-(1-adamantyl)-1,3-benzoxazol-2-yl]sulfanyl]acetamide?
2-[[5-(1-adamantyl)-1,3-benzoxazol-2-yl]sulfanyl]acetamide has a molecular weight of 342.46 g/mol, XLogP of 3.87, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(1-adamantyl)-1,3-benzoxazol-2-yl]sulfanyl]acetamide is sourced from PubChem (CID 3164028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).