2-(1,3-benzoxazol-2-ylsulfanyl)-N-benzyl-N-propan-2-ylacetamide

C19H20N2O2S — CID 52888357

IUPAC2-(1,3-benzoxazol-2-ylsulfanyl)-N-benzyl-N-propan-2-ylacetamide
SMILESCC(C)N(Cc1ccccc1)C(=O)CSc1nc2ccccc2o1
InChIInChI=1S/C19H20N2O2S/c1-14(2)21(12-15-8-4-3-5-9-15)18(22)13-24-19-20-16-10-6-7-11-17(16)23-19/h3-11,14H,12-13H2,1-2H3
InChIKeyUWHYQDCOELFURT-UHFFFAOYSA-N
MW340.45 g/mol
LogP4.36
Rot. Bonds6

About 2-(1,3-benzoxazol-2-ylsulfanyl)-N-benzyl-N-propan-2-ylacetamide

2-(1,3-benzoxazol-2-ylsulfanyl)-N-benzyl-N-propan-2-ylacetamide (PubChem CID 52888357) has the molecular formula C19H20N2O2S and a molecular weight of 340.45 g/mol. Its IUPAC name is 2-(1,3-benzoxazol-2-ylsulfanyl)-N-benzyl-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-(1,3-benzoxazol-2-ylsulfanyl)-N-benzyl-N-propan-2-ylacetamide
PubChem CID52888357
Molecular FormulaC19H20N2O2S
Molecular Weight340.45 g/mol
Exact Mass340.12
IUPAC Name2-(1,3-benzoxazol-2-ylsulfanyl)-N-benzyl-N-propan-2-ylacetamide
SMILESCC(C)N(Cc1ccccc1)C(=O)CSc1nc2ccccc2o1
InChIInChI=1S/C19H20N2O2S/c1-14(2)21(12-15-8-4-3-5-9-15)18(22)13-24-19-20-16-10-6-7-11-17(16)23-19/h3-11,14H,12-13H2,1-2H3
InChIKeyUWHYQDCOELFURT-UHFFFAOYSA-N
XLogP4.36
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.45
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1,3-benzoxazol-2-ylsulfanyl)-N-benzyl-N-(2-hydroxyethyl)acetamide
CID 110886515
2-(1,3-benzoxazol-2-ylsulfanyl)-N-methyl-N-(1-phenylethyl)acetamide
CID 17403508
N-benzyl-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-propan-2-ylacetamide
CID 2696272
benzyl 2-(1,3-benzoxazol-2-ylsulfanyl)acetate
CID 690612
2-[[2-(1,3-benzoxazol-2-ylsulfanyl)acetyl]-methylamino]-2-methylpropanoic acid
CID 62817204
(2R)-2-[[2-(1,3-benzoxazol-2-ylsulfanyl)acetyl]amino]-3-methylbutanoic acid
CID 79009461
2-[[2-(1,3-benzoxazol-2-ylsulfanyl)acetyl]-methylamino]-N-propan-2-ylacetamide
CID 9476082
[(2R)-1-(benzylamino)-1-oxopropan-2-yl] 2-(1,3-benzoxazol-2-ylsulfanyl)acetate
CID 7836104
N-benzyl-2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-propan-2-ylacetamide
CID 7374058
N-benzyl-2-[(6-chloro-1,3-benzoxazol-2-yl)sulfanyl]-N-methylacetamide
CID 7963506
2-(1,3-benzoxazol-2-ylsulfanyl)-N-benzyl-N-[1-(4-methylphenyl)-2,5-dioxopyrrolidin-3-yl]acetamide
CID 23916943
[(2S)-1-[(3-fluorophenyl)methyl-methylamino]-1-oxopropan-2-yl] 2-(1,3-benzoxazol-2-ylsulfanyl)acetate
CID 8569202

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-benzoxazol-2-ylsulfanyl)-N-benzyl-N-propan-2-ylacetamide?
The IUPAC name of 2-(1,3-benzoxazol-2-ylsulfanyl)-N-benzyl-N-propan-2-ylacetamide (CID 52888357) is 2-(1,3-benzoxazol-2-ylsulfanyl)-N-benzyl-N-propan-2-ylacetamide.
What is the SMILES notation for 2-(1,3-benzoxazol-2-ylsulfanyl)-N-benzyl-N-propan-2-ylacetamide?
The canonical SMILES for 2-(1,3-benzoxazol-2-ylsulfanyl)-N-benzyl-N-propan-2-ylacetamide is CC(C)N(Cc1ccccc1)C(=O)CSc1nc2ccccc2o1.
What is the InChIKey of 2-(1,3-benzoxazol-2-ylsulfanyl)-N-benzyl-N-propan-2-ylacetamide?
The InChIKey is UWHYQDCOELFURT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O2S/c1-14(2)21(12-15-8-4-3-5-9-15)18(22)13-24-19-20-16-10-6-7-11-17(16)23-19/h3-11,14H,12-13H2,1-2H3.
What are the key properties of 2-(1,3-benzoxazol-2-ylsulfanyl)-N-benzyl-N-propan-2-ylacetamide?
2-(1,3-benzoxazol-2-ylsulfanyl)-N-benzyl-N-propan-2-ylacetamide has a molecular weight of 340.45 g/mol, XLogP of 4.36, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-benzoxazol-2-ylsulfanyl)-N-benzyl-N-propan-2-ylacetamide is sourced from PubChem (CID 52888357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).