2-(1,3-benzoxazol-2-ylsulfanyl)-N-benzyl-N-(2-hydroxyethyl)acetamide

C18H18N2O3S — CID 110886515

IUPAC2-(1,3-benzoxazol-2-ylsulfanyl)-N-benzyl-N-(2-hydroxyethyl)acetamide
SMILESO=C(CSc1nc2ccccc2o1)N(CCO)Cc1ccccc1
InChIInChI=1S/C18H18N2O3S/c21-11-10-20(12-14-6-2-1-3-7-14)17(22)13-24-18-19-15-8-4-5-9-16(15)23-18/h1-9,21H,10-13H2
InChIKeyUOWDUCIBESQZDS-UHFFFAOYSA-N
MW342.42 g/mol
LogP2.94
Rot. Bonds7

About 2-(1,3-benzoxazol-2-ylsulfanyl)-N-benzyl-N-(2-hydroxyethyl)acetamide

2-(1,3-benzoxazol-2-ylsulfanyl)-N-benzyl-N-(2-hydroxyethyl)acetamide (PubChem CID 110886515) has the molecular formula C18H18N2O3S and a molecular weight of 342.42 g/mol. Its IUPAC name is 2-(1,3-benzoxazol-2-ylsulfanyl)-N-benzyl-N-(2-hydroxyethyl)acetamide.

Molecular Properties

Compound Name2-(1,3-benzoxazol-2-ylsulfanyl)-N-benzyl-N-(2-hydroxyethyl)acetamide
PubChem CID110886515
Molecular FormulaC18H18N2O3S
Molecular Weight342.42 g/mol
Exact Mass342.10
IUPAC Name2-(1,3-benzoxazol-2-ylsulfanyl)-N-benzyl-N-(2-hydroxyethyl)acetamide
SMILESO=C(CSc1nc2ccccc2o1)N(CCO)Cc1ccccc1
InChIInChI=1S/C18H18N2O3S/c21-11-10-20(12-14-6-2-1-3-7-14)17(22)13-24-18-19-15-8-4-5-9-16(15)23-18/h1-9,21H,10-13H2
InChIKeyUOWDUCIBESQZDS-UHFFFAOYSA-N
XLogP2.94
TPSA66.57 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.42
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(1,3-benzoxazol-2-ylsulfanyl)-N-benzyl-N-propan-2-ylacetamide
CID 52888357
benzyl 2-(1,3-benzoxazol-2-ylsulfanyl)acetate
CID 690612
2-[[2-(1,3-benzoxazol-2-ylsulfanyl)acetyl]-methylamino]-2-methylpropanoic acid
CID 62817204
2-(1,3-benzoxazol-2-ylsulfanyl)-N-methyl-N-(1-phenylethyl)acetamide
CID 17403508
2-(1,3-benzoxazol-2-ylsulfanyl)-N-[(5-chlorothiophen-2-yl)methyl]-N-ethylacetamide
CID 9006299
N,N-dibenzyl-2-[3-[2-(dibenzylamino)-2-oxoethyl]sulfanylquinoxalin-2-yl]sulfanylacetamide
CID 3641810
N-benzyl-2-[(6-chloro-1,3-benzoxazol-2-yl)sulfanyl]-N-methylacetamide
CID 7963506
3-(N-[2-(1,3-benzoxazol-2-ylsulfanyl)acetyl]-4-fluoroanilino)propanamide
CID 27310160
2-(1,3-benzoxazol-2-ylsulfanyl)-N-benzyl-N-[1-(4-methylphenyl)-2,5-dioxopyrrolidin-3-yl]acetamide
CID 23916943
2-(1,3-benzoxazol-2-ylsulfanyl)-N-(3-hydroxypropyl)acetamide
CID 5128603
2-[1,3-benzoxazol-2-yl(benzyl)amino]ethanol
CID 60979792
2-(1,3-benzoxazol-2-ylsulfanyl)-1-[(3R,4S)-3,4-dihydroxypyrrolidin-1-yl]ethanone
CID 79404054

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-benzoxazol-2-ylsulfanyl)-N-benzyl-N-(2-hydroxyethyl)acetamide?
The IUPAC name of 2-(1,3-benzoxazol-2-ylsulfanyl)-N-benzyl-N-(2-hydroxyethyl)acetamide (CID 110886515) is 2-(1,3-benzoxazol-2-ylsulfanyl)-N-benzyl-N-(2-hydroxyethyl)acetamide.
What is the SMILES notation for 2-(1,3-benzoxazol-2-ylsulfanyl)-N-benzyl-N-(2-hydroxyethyl)acetamide?
The canonical SMILES for 2-(1,3-benzoxazol-2-ylsulfanyl)-N-benzyl-N-(2-hydroxyethyl)acetamide is O=C(CSc1nc2ccccc2o1)N(CCO)Cc1ccccc1.
What is the InChIKey of 2-(1,3-benzoxazol-2-ylsulfanyl)-N-benzyl-N-(2-hydroxyethyl)acetamide?
The InChIKey is UOWDUCIBESQZDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O3S/c21-11-10-20(12-14-6-2-1-3-7-14)17(22)13-24-18-19-15-8-4-5-9-16(15)23-18/h1-9,21H,10-13H2.
What are the key properties of 2-(1,3-benzoxazol-2-ylsulfanyl)-N-benzyl-N-(2-hydroxyethyl)acetamide?
2-(1,3-benzoxazol-2-ylsulfanyl)-N-benzyl-N-(2-hydroxyethyl)acetamide has a molecular weight of 342.42 g/mol, XLogP of 2.94, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-benzoxazol-2-ylsulfanyl)-N-benzyl-N-(2-hydroxyethyl)acetamide is sourced from PubChem (CID 110886515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).