2-[(5-chloro-1,3-benzoxazol-2-yl)sulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide

C13H10ClN3O3S — CID 974455

IUPAC2-[(5-chloro-1,3-benzoxazol-2-yl)sulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
SMILESCc1cc(NC(=O)CSc2nc3cc(Cl)ccc3o2)no1
InChIInChI=1S/C13H10ClN3O3S/c1-7-4-11(17-20-7)16-12(18)6-21-13-15-9-5-8(14)2-3-10(9)19-13/h2-5H,6H2,1H3,(H,16,17,18)
InChIKeyLEIXZLDHSDGLSE-UHFFFAOYSA-N
MW323.76 g/mol
LogP3.51
Rot. Bonds4

About 2-[(5-chloro-1,3-benzoxazol-2-yl)sulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide

2-[(5-chloro-1,3-benzoxazol-2-yl)sulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide (PubChem CID 974455) has the molecular formula C13H10ClN3O3S and a molecular weight of 323.76 g/mol. Its IUPAC name is 2-[(5-chloro-1,3-benzoxazol-2-yl)sulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide.

Molecular Properties

Compound Name2-[(5-chloro-1,3-benzoxazol-2-yl)sulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
PubChem CID974455
Molecular FormulaC13H10ClN3O3S
Molecular Weight323.76 g/mol
Exact Mass323.01
IUPAC Name2-[(5-chloro-1,3-benzoxazol-2-yl)sulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
SMILESCc1cc(NC(=O)CSc2nc3cc(Cl)ccc3o2)no1
InChIInChI=1S/C13H10ClN3O3S/c1-7-4-11(17-20-7)16-12(18)6-21-13-15-9-5-8(14)2-3-10(9)19-13/h2-5H,6H2,1H3,(H,16,17,18)
InChIKeyLEIXZLDHSDGLSE-UHFFFAOYSA-N
XLogP3.51
TPSA81.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.76
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(1,3-benzoxazol-2-ylsulfanyl)-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 695372
N-[4-(acetylamino)-1,2,5-oxadiazol-3-yl]-2-(1,3-benzoxazol-2-ylthio)acetamide
CID 712224
2-(Benzooxazol-2-ylsulfanyl)-N-(4-methyl-furazan-3-yl)-acetamide
CID 2990590
3-[(5-chloro-1,3-benzoxazol-2-yl)sulfanyl]-N-ethylpropanamide
CID 851296
1-[3-(1,3-Benzoxazol-2-ylthio)propyl]-3-(5-methyl-3-isoxazolyl)urea
CID 7423841
2-(1,3-benzoxazol-2-ylsulfanyl)-N-(5-chloro-2-methoxyphenyl)acetamide
CID 708745
2-[(5-Chloro-1,3-benzoxazol-2-yl)sulfanyl]acetamide
CID 755205
2-[(5-chloro-1,3-benzoxazol-2-yl)sulfanyl]-N-cyclopentylacetamide
CID 2373476
2-(1,3-benzoxazol-2-ylsulfanyl)-N-(5-methyl-1,2-oxazol-3-yl)butanamide
CID 2915817
1-(2-(benzo[d]oxazol-2-ylthio)acetyl)-N-(5-methylisoxazol-3-yl)piperidine-4-carboxamide
CID 39701795
3-(3-{[(5-Chloro-1,3-benzoxazol-2-YL)sulfanyl]methyl}-1,2,4-oxadiazol-5-YL)-N-(2,6-difluorophenyl)propanamide
CID 50809800
3-(3-{[(5-chloro-1,3-benzoxazol-2-yl)sulfanyl]methyl}-1,2,4-oxadiazol-5-yl)-N-(3,5-difluorophenyl)propanamide
CID 50809801

Frequently Asked Questions

What is the IUPAC name of 2-[(5-chloro-1,3-benzoxazol-2-yl)sulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
The IUPAC name of 2-[(5-chloro-1,3-benzoxazol-2-yl)sulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide (CID 974455) is 2-[(5-chloro-1,3-benzoxazol-2-yl)sulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide.
What is the SMILES notation for 2-[(5-chloro-1,3-benzoxazol-2-yl)sulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
The canonical SMILES for 2-[(5-chloro-1,3-benzoxazol-2-yl)sulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide is Cc1cc(NC(=O)CSc2nc3cc(Cl)ccc3o2)no1.
What is the InChIKey of 2-[(5-chloro-1,3-benzoxazol-2-yl)sulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
The InChIKey is LEIXZLDHSDGLSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClN3O3S/c1-7-4-11(17-20-7)16-12(18)6-21-13-15-9-5-8(14)2-3-10(9)19-13/h2-5H,6H2,1H3,(H,16,17,18).
What are the key properties of 2-[(5-chloro-1,3-benzoxazol-2-yl)sulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
2-[(5-chloro-1,3-benzoxazol-2-yl)sulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide has a molecular weight of 323.76 g/mol, XLogP of 3.51, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-chloro-1,3-benzoxazol-2-yl)sulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide is sourced from PubChem (CID 974455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).