2-(1,3-benzoxazol-2-yl)-N-(thiolan-3-yl)acetamide

C13H14N2O2S — CID 45214897

IUPAC2-(1,3-benzoxazol-2-yl)-N-(thiolan-3-yl)acetamide
SMILESO=C(Cc1nc2ccccc2o1)NC1CCSC1
InChIInChI=1S/C13H14N2O2S/c16-12(14-9-5-6-18-8-9)7-13-15-10-3-1-2-4-11(10)17-13/h1-4,9H,5-8H2,(H,14,16)
InChIKeySBOKYGZKSHBPQL-UHFFFAOYSA-N
MW262.33 g/mol
LogP1.99
Rot. Bonds3

About 2-(1,3-benzoxazol-2-yl)-N-(thiolan-3-yl)acetamide

2-(1,3-benzoxazol-2-yl)-N-(thiolan-3-yl)acetamide (PubChem CID 45214897) has the molecular formula C13H14N2O2S and a molecular weight of 262.33 g/mol. Its IUPAC name is 2-(1,3-benzoxazol-2-yl)-N-(thiolan-3-yl)acetamide.

Molecular Properties

Compound Name2-(1,3-benzoxazol-2-yl)-N-(thiolan-3-yl)acetamide
PubChem CID45214897
Molecular FormulaC13H14N2O2S
Molecular Weight262.33 g/mol
Exact Mass262.08
IUPAC Name2-(1,3-benzoxazol-2-yl)-N-(thiolan-3-yl)acetamide
SMILESO=C(Cc1nc2ccccc2o1)NC1CCSC1
InChIInChI=1S/C13H14N2O2S/c16-12(14-9-5-6-18-8-9)7-13-15-10-3-1-2-4-11(10)17-13/h1-4,9H,5-8H2,(H,14,16)
InChIKeySBOKYGZKSHBPQL-UHFFFAOYSA-N
XLogP1.99
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.33
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1,3-benzoxazol-2-yl)-N-[(1S,2S)-2-hydroxycyclooctyl]acetamide
CID 146038837
2-[1,3-benzoxazol-2-ylmethyl(methyl)amino]-N-cyclopropylacetamide
CID 8910060
2-(1,3-benzoxazol-2-yl)-1-(oxan-4-yl)ethanone
CID 62905162
sodium 2-(1,3-benzoxazol-2-yl)acetate
CID 75531246
1-(1,3-benzoxazol-2-ylmethyl)-3-cyclohexylurea
CID 110747198
3-(1,3-benzoxazol-2-yl)-N-(1-benzylpiperidin-4-yl)propanamide
CID 39754999
4-(1,3-benzoxazol-2-yl)-N-[(3R)-1,1-dioxothiolan-3-yl]butanamide
CID 39397535
N-(1,3-benzoxazol-2-ylmethyl)cyclohexanecarboxamide
CID 110711622
2-(1,3-benzoxazol-2-yl)-1-(oxan-2-yl)ethanone
CID 62214070
2-(1,3-benzoxazol-2-yl)-1-(2,2,3,3-tetramethylcyclopropyl)ethanone
CID 66478066
2-[3-(1,3-benzoxazol-2-yl)propanoylamino]-2-cyclopropylacetic acid
CID 119213480
2-(1,3-benzoxazol-2-yl)-1-(2-methyloxolan-3-yl)ethanone
CID 79757794

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-benzoxazol-2-yl)-N-(thiolan-3-yl)acetamide?
The IUPAC name of 2-(1,3-benzoxazol-2-yl)-N-(thiolan-3-yl)acetamide (CID 45214897) is 2-(1,3-benzoxazol-2-yl)-N-(thiolan-3-yl)acetamide.
What is the SMILES notation for 2-(1,3-benzoxazol-2-yl)-N-(thiolan-3-yl)acetamide?
The canonical SMILES for 2-(1,3-benzoxazol-2-yl)-N-(thiolan-3-yl)acetamide is O=C(Cc1nc2ccccc2o1)NC1CCSC1.
What is the InChIKey of 2-(1,3-benzoxazol-2-yl)-N-(thiolan-3-yl)acetamide?
The InChIKey is SBOKYGZKSHBPQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O2S/c16-12(14-9-5-6-18-8-9)7-13-15-10-3-1-2-4-11(10)17-13/h1-4,9H,5-8H2,(H,14,16).
What are the key properties of 2-(1,3-benzoxazol-2-yl)-N-(thiolan-3-yl)acetamide?
2-(1,3-benzoxazol-2-yl)-N-(thiolan-3-yl)acetamide has a molecular weight of 262.33 g/mol, XLogP of 1.99, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-benzoxazol-2-yl)-N-(thiolan-3-yl)acetamide is sourced from PubChem (CID 45214897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).