2-(1,3-benzoxazol-2-ylsulfanyl)-N-(cyclopentylcarbamoyl)acetamide

C15H17N3O3S — CID 2086411

IUPAC2-(1,3-benzoxazol-2-ylsulfanyl)-N-(cyclopentylcarbamoyl)acetamide
SMILESO=C(CSc1nc2ccccc2o1)NC(=O)NC1CCCC1
InChIInChI=1S/C15H17N3O3S/c19-13(18-14(20)16-10-5-1-2-6-10)9-22-15-17-11-7-3-4-8-12(11)21-15/h3-4,7-8,10H,1-2,5-6,9H2,(H2,16,18,19,20)
InChIKeyYUQIWPPXMZQJMM-UHFFFAOYSA-N
MW319.39 g/mol
LogP2.69
Rot. Bonds4

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

2-(1,3-benzoxazol-2-ylsulfanyl)-N-(cyclopentylcarbamoyl)acetamide (PubChem CID 2086411) has the molecular formula C15H17N3O3S and a molecular weight of 319.39 g/mol. Its IUPAC name is 2-(1,3-benzoxazol-2-ylsulfanyl)-N-(cyclopentylcarbamoyl)acetamide.

Molecular Properties

Compound Name2-(1,3-benzoxazol-2-ylsulfanyl)-N-(cyclopentylcarbamoyl)acetamide
PubChem CID2086411
Molecular FormulaC15H17N3O3S
Molecular Weight319.39 g/mol
Exact Mass319.10
IUPAC Name2-(1,3-benzoxazol-2-ylsulfanyl)-N-(cyclopentylcarbamoyl)acetamide
SMILESO=C(CSc1nc2ccccc2o1)NC(=O)NC1CCCC1
InChIInChI=1S/C15H17N3O3S/c19-13(18-14(20)16-10-5-1-2-6-10)9-22-15-17-11-7-3-4-8-12(11)21-15/h3-4,7-8,10H,1-2,5-6,9H2,(H2,16,18,19,20)
InChIKeyYUQIWPPXMZQJMM-UHFFFAOYSA-N
XLogP2.69
TPSA84.23 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.39
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 9967252
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CID 2819294
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CID 714637
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CID 2122382
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CID 24949386
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CID 24949534
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CID 24949535
CID 24949535

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-benzoxazol-2-ylsulfanyl)-N-(cyclopentylcarbamoyl)acetamide?
The IUPAC name of 2-(1,3-benzoxazol-2-ylsulfanyl)-N-(cyclopentylcarbamoyl)acetamide (CID 2086411) is 2-(1,3-benzoxazol-2-ylsulfanyl)-N-(cyclopentylcarbamoyl)acetamide.
What is the SMILES notation for 2-(1,3-benzoxazol-2-ylsulfanyl)-N-(cyclopentylcarbamoyl)acetamide?
The canonical SMILES for 2-(1,3-benzoxazol-2-ylsulfanyl)-N-(cyclopentylcarbamoyl)acetamide is O=C(CSc1nc2ccccc2o1)NC(=O)NC1CCCC1.
What is the InChIKey of 2-(1,3-benzoxazol-2-ylsulfanyl)-N-(cyclopentylcarbamoyl)acetamide?
The InChIKey is YUQIWPPXMZQJMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O3S/c19-13(18-14(20)16-10-5-1-2-6-10)9-22-15-17-11-7-3-4-8-12(11)21-15/h3-4,7-8,10H,1-2,5-6,9H2,(H2,16,18,19,20).
What are the key properties of 2-(1,3-benzoxazol-2-ylsulfanyl)-N-(cyclopentylcarbamoyl)acetamide?
2-(1,3-benzoxazol-2-ylsulfanyl)-N-(cyclopentylcarbamoyl)acetamide has a molecular weight of 319.39 g/mol, XLogP of 2.69, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-benzoxazol-2-ylsulfanyl)-N-(cyclopentylcarbamoyl)acetamide is sourced from PubChem (CID 2086411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).