N'-[2-(1,3-benzoxazol-2-ylsulfanyl)acetyl]-2-[(1R)-cyclopent-2-en-1-yl]acetohydrazide

C16H17N3O3S — CID 9326033

IUPACN'-[2-(1,3-benzoxazol-2-ylsulfanyl)acetyl]-2-[(1R)-cyclopent-2-en-1-yl]acetohydrazide
SMILESO=C(CSc1nc2ccccc2o1)NNC(=O)C[C@@H]1C=CCC1
InChIInChI=1S/C16H17N3O3S/c20-14(9-11-5-1-2-6-11)18-19-15(21)10-23-16-17-12-7-3-4-8-13(12)22-16/h1,3-5,7-8,11H,2,6,9-10H2,(H,18,20)(H,19,21)/t11-/m1/s1
InChIKeyCHOJRWVZJCLJFY-LLVKDONJSA-N
MW331.40 g/mol
LogP2.42
Rot. Bonds5

About N'-[2-(1,3-benzoxazol-2-ylsulfanyl)acetyl]-2-[(1R)-cyclopent-2-en-1-yl]acetohydrazide

N'-[2-(1,3-benzoxazol-2-ylsulfanyl)acetyl]-2-[(1R)-cyclopent-2-en-1-yl]acetohydrazide (PubChem CID 9326033) has the molecular formula C16H17N3O3S and a molecular weight of 331.40 g/mol. Its IUPAC name is N'-[2-(1,3-benzoxazol-2-ylsulfanyl)acetyl]-2-[(1R)-cyclopent-2-en-1-yl]acetohydrazide.

Molecular Properties

Compound NameN'-[2-(1,3-benzoxazol-2-ylsulfanyl)acetyl]-2-[(1R)-cyclopent-2-en-1-yl]acetohydrazide
PubChem CID9326033
Molecular FormulaC16H17N3O3S
Molecular Weight331.40 g/mol
Exact Mass331.10
IUPAC NameN'-[2-(1,3-benzoxazol-2-ylsulfanyl)acetyl]-2-[(1R)-cyclopent-2-en-1-yl]acetohydrazide
SMILESO=C(CSc1nc2ccccc2o1)NNC(=O)C[C@@H]1C=CCC1
InChIInChI=1S/C16H17N3O3S/c20-14(9-11-5-1-2-6-11)18-19-15(21)10-23-16-17-12-7-3-4-8-13(12)22-16/h1,3-5,7-8,11H,2,6,9-10H2,(H,18,20)(H,19,21)/t11-/m1/s1
InChIKeyCHOJRWVZJCLJFY-LLVKDONJSA-N
XLogP2.42
TPSA84.23 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.40
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(2R)-N'-[2-(1,3-benzoxazol-2-ylsulfanyl)acetyl]-2,3-dihydro-1-benzofuran-2-carbohydrazide
CID 9086046
N-(1,3-benzoxazol-2-ylmethyl)-2-cyclopent-2-en-1-ylacetamide
CID 91761912
2-(1,3-benzoxazol-2-ylsulfanyl)-N-(cyclopropylcarbamoyl)acetamide
CID 7756295
N'-[2-(1,3-benzoxazol-2-ylsulfanyl)acetyl]-2-(2,5-dimethylphenyl)sulfanylacetohydrazide
CID 9471446
N'-[2-(1,3-benzoxazol-2-ylsulfanyl)acetyl]-2-bromobenzohydrazide
CID 9340002
N'-[2-(1,3-benzoxazol-2-ylsulfanyl)acetyl]-4-phenylbenzohydrazide
CID 9471511
N'-[2-(1,3-benzoxazol-2-ylsulfanyl)acetyl]furan-2-carbohydrazide
CID 7756427
2-(1,3-benzoxazol-2-ylsulfanyl)-N-[(1R,2S)-2-methylcyclohexyl]acetamide
CID 890231
N'-[2-(1,3-benzoxazol-2-ylsulfanyl)acetyl]-2-(4-chlorophenoxy)acetohydrazide
CID 4811629
N'-[2-(1,3-benzoxazol-2-ylsulfanyl)acetyl]-2-(2,4-dimethylanilino)acetohydrazide
CID 9432141
(E)-N'-[2-(1,3-benzoxazol-2-ylsulfanyl)acetyl]-3-(2-chlorophenyl)prop-2-enehydrazide
CID 9471535
N'-[2-(1,3-benzoxazol-2-ylsulfanyl)acetyl]-4-(4-fluorophenyl)-4-oxobutanehydrazide
CID 9471530

Frequently Asked Questions

What is the IUPAC name of N'-[2-(1,3-benzoxazol-2-ylsulfanyl)acetyl]-2-[(1R)-cyclopent-2-en-1-yl]acetohydrazide?
The IUPAC name of N'-[2-(1,3-benzoxazol-2-ylsulfanyl)acetyl]-2-[(1R)-cyclopent-2-en-1-yl]acetohydrazide (CID 9326033) is N'-[2-(1,3-benzoxazol-2-ylsulfanyl)acetyl]-2-[(1R)-cyclopent-2-en-1-yl]acetohydrazide.
What is the SMILES notation for N'-[2-(1,3-benzoxazol-2-ylsulfanyl)acetyl]-2-[(1R)-cyclopent-2-en-1-yl]acetohydrazide?
The canonical SMILES for N'-[2-(1,3-benzoxazol-2-ylsulfanyl)acetyl]-2-[(1R)-cyclopent-2-en-1-yl]acetohydrazide is O=C(CSc1nc2ccccc2o1)NNC(=O)C[C@@H]1C=CCC1.
What is the InChIKey of N'-[2-(1,3-benzoxazol-2-ylsulfanyl)acetyl]-2-[(1R)-cyclopent-2-en-1-yl]acetohydrazide?
The InChIKey is CHOJRWVZJCLJFY-LLVKDONJSA-N. The full InChI is InChI=1S/C16H17N3O3S/c20-14(9-11-5-1-2-6-11)18-19-15(21)10-23-16-17-12-7-3-4-8-13(12)22-16/h1,3-5,7-8,11H,2,6,9-10H2,(H,18,20)(H,19,21)/t11-/m1/s1.
What are the key properties of N'-[2-(1,3-benzoxazol-2-ylsulfanyl)acetyl]-2-[(1R)-cyclopent-2-en-1-yl]acetohydrazide?
N'-[2-(1,3-benzoxazol-2-ylsulfanyl)acetyl]-2-[(1R)-cyclopent-2-en-1-yl]acetohydrazide has a molecular weight of 331.40 g/mol, XLogP of 2.42, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(1,3-benzoxazol-2-ylsulfanyl)acetyl]-2-[(1R)-cyclopent-2-en-1-yl]acetohydrazide is sourced from PubChem (CID 9326033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).