5-(2,3-dihydro-1H-inden-5-ylsulfanylmethyl)-1,2-oxazole-3-carbohydrazide

C14H15N3O2S — CID 63581188

IUPAC5-(2,3-dihydro-1H-inden-5-ylsulfanylmethyl)-1,2-oxazole-3-carbohydrazide
SMILESNNC(=O)c1cc(CSc2ccc3c(c2)CCC3)on1
InChIInChI=1S/C14H15N3O2S/c15-16-14(18)13-7-11(19-17-13)8-20-12-5-4-9-2-1-3-10(9)6-12/h4-7H,1-3,8,15H2,(H,16,18)
InChIKeyXHIZZAFSXBXWIN-UHFFFAOYSA-N
MW289.36 g/mol
LogP2.06
Rot. Bonds4

About 5-(2,3-dihydro-1H-inden-5-ylsulfanylmethyl)-1,2-oxazole-3-carbohydrazide

5-(2,3-dihydro-1H-inden-5-ylsulfanylmethyl)-1,2-oxazole-3-carbohydrazide (PubChem CID 63581188) has the molecular formula C14H15N3O2S and a molecular weight of 289.36 g/mol. Its IUPAC name is 5-(2,3-dihydro-1H-inden-5-ylsulfanylmethyl)-1,2-oxazole-3-carbohydrazide.

Molecular Properties

Compound Name5-(2,3-dihydro-1H-inden-5-ylsulfanylmethyl)-1,2-oxazole-3-carbohydrazide
PubChem CID63581188
Molecular FormulaC14H15N3O2S
Molecular Weight289.36 g/mol
Exact Mass289.09
IUPAC Name5-(2,3-dihydro-1H-inden-5-ylsulfanylmethyl)-1,2-oxazole-3-carbohydrazide
SMILESNNC(=O)c1cc(CSc2ccc3c(c2)CCC3)on1
InChIInChI=1S/C14H15N3O2S/c15-16-14(18)13-7-11(19-17-13)8-20-12-5-4-9-2-1-3-10(9)6-12/h4-7H,1-3,8,15H2,(H,16,18)
InChIKeyXHIZZAFSXBXWIN-UHFFFAOYSA-N
XLogP2.06
TPSA81.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.36
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-[(3,4-dimethylphenyl)sulfanylmethyl]-1,2-oxazole-3-carbohydrazide
CID 63582283
5-[(4-methylsulfonylphenyl)sulfanylmethyl]-1,2-oxazole-3-carbohydrazide
CID 63591174
5-(cyclopentylmethylsulfanylmethyl)-1,2-oxazole-3-carbohydrazide
CID 55213330
5-[(2,5-difluorophenyl)sulfanylmethyl]-1,2-oxazole-3-carbohydrazide
CID 63581387
5-[(4-amino-2-bromophenyl)sulfanylmethyl]-1,2-oxazole-3-carbohydrazide
CID 82840690
5-(benzylsulfanylmethyl)-1,2-oxazole-3-carbohydrazide
CID 63581894
2-[2-(2,3-dihydro-1H-inden-5-ylsulfanylmethyl)phenyl]acetic acid
CID 115460864
2-(2,3-dihydro-1H-inden-5-ylsulfanyl)acetate
CID 7128917
5-[(2-nitrophenyl)sulfanylmethyl]-1,2-oxazole-3-carbohydrazide
CID 63580656
2-amino-6-(2,3-dihydro-1H-inden-5-ylsulfanylmethyl)benzoic acid
CID 104825716
[5-(2,3-dihydro-1H-inden-5-ylsulfanylmethyl)-1,3,4-thiadiazol-2-yl]hydrazine
CID 80625386
2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-1-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]ethanone
CID 51269779

Frequently Asked Questions

What is the IUPAC name of 5-(2,3-dihydro-1H-inden-5-ylsulfanylmethyl)-1,2-oxazole-3-carbohydrazide?
The IUPAC name of 5-(2,3-dihydro-1H-inden-5-ylsulfanylmethyl)-1,2-oxazole-3-carbohydrazide (CID 63581188) is 5-(2,3-dihydro-1H-inden-5-ylsulfanylmethyl)-1,2-oxazole-3-carbohydrazide.
What is the SMILES notation for 5-(2,3-dihydro-1H-inden-5-ylsulfanylmethyl)-1,2-oxazole-3-carbohydrazide?
The canonical SMILES for 5-(2,3-dihydro-1H-inden-5-ylsulfanylmethyl)-1,2-oxazole-3-carbohydrazide is NNC(=O)c1cc(CSc2ccc3c(c2)CCC3)on1.
What is the InChIKey of 5-(2,3-dihydro-1H-inden-5-ylsulfanylmethyl)-1,2-oxazole-3-carbohydrazide?
The InChIKey is XHIZZAFSXBXWIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O2S/c15-16-14(18)13-7-11(19-17-13)8-20-12-5-4-9-2-1-3-10(9)6-12/h4-7H,1-3,8,15H2,(H,16,18).
What are the key properties of 5-(2,3-dihydro-1H-inden-5-ylsulfanylmethyl)-1,2-oxazole-3-carbohydrazide?
5-(2,3-dihydro-1H-inden-5-ylsulfanylmethyl)-1,2-oxazole-3-carbohydrazide has a molecular weight of 289.36 g/mol, XLogP of 2.06, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,3-dihydro-1H-inden-5-ylsulfanylmethyl)-1,2-oxazole-3-carbohydrazide is sourced from PubChem (CID 63581188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).