4-[2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]ethoxy]benzohydrazide

C14H17N3O3S — CID 106926311

IUPAC4-[2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]ethoxy]benzohydrazide
SMILESCc1nc(SCCOc2ccc(C(=O)NN)cc2)oc1C
InChIInChI=1S/C14H17N3O3S/c1-9-10(2)20-14(16-9)21-8-7-19-12-5-3-11(4-6-12)13(18)17-15/h3-6H,7-8,15H2,1-2H3,(H,17,18)
InChIKeyZREYBIUDYYRKOF-UHFFFAOYSA-N
MW307.38 g/mol
LogP2.07
Rot. Bonds6

About 4-[2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]ethoxy]benzohydrazide

4-[2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]ethoxy]benzohydrazide (PubChem CID 106926311) has the molecular formula C14H17N3O3S and a molecular weight of 307.38 g/mol. Its IUPAC name is 4-[2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]ethoxy]benzohydrazide.

Molecular Properties

Compound Name4-[2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]ethoxy]benzohydrazide
PubChem CID106926311
Molecular FormulaC14H17N3O3S
Molecular Weight307.38 g/mol
Exact Mass307.10
IUPAC Name4-[2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]ethoxy]benzohydrazide
SMILESCc1nc(SCCOc2ccc(C(=O)NN)cc2)oc1C
InChIInChI=1S/C14H17N3O3S/c1-9-10(2)20-14(16-9)21-8-7-19-12-5-3-11(4-6-12)13(18)17-15/h3-6H,7-8,15H2,1-2H3,(H,17,18)
InChIKeyZREYBIUDYYRKOF-UHFFFAOYSA-N
XLogP2.07
TPSA90.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.38
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-(2-ethylsulfanylethoxy)benzohydrazide
CID 63582672
ethyl 3-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]propanoate
CID 106920911
4-(2-butan-2-ylsulfanylethoxy)benzohydrazide
CID 63580821
4-pentoxybenzohydrazide
CID 2727702
3-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]propanamide
CID 103761124
2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-1-(4-phenoxyphenyl)ethanone
CID 9457445
4-[2-(4-aminobutan-2-ylsulfanyl)ethoxy]benzohydrazide
CID 66225349
4-[2-(4-chloro-3,5-dimethylpyrazol-1-yl)ethoxy]benzohydrazide
CID 63577103
4-[2-(4-iodophenoxy)ethoxy]benzohydrazide
CID 63576077
N-methyl-4-(2-phenylsulfanylethoxy)benzamide
CID 53283867
methyl 4-[2-(4-methylphenyl)sulfanylethoxy]benzoate
CID 60627947
N-(4-methylphenyl)-4-(2-phenylsulfanylethoxy)benzamide
CID 38003479

Frequently Asked Questions

What is the IUPAC name of 4-[2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]ethoxy]benzohydrazide?
The IUPAC name of 4-[2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]ethoxy]benzohydrazide (CID 106926311) is 4-[2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]ethoxy]benzohydrazide.
What is the SMILES notation for 4-[2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]ethoxy]benzohydrazide?
The canonical SMILES for 4-[2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]ethoxy]benzohydrazide is Cc1nc(SCCOc2ccc(C(=O)NN)cc2)oc1C.
What is the InChIKey of 4-[2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]ethoxy]benzohydrazide?
The InChIKey is ZREYBIUDYYRKOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O3S/c1-9-10(2)20-14(16-9)21-8-7-19-12-5-3-11(4-6-12)13(18)17-15/h3-6H,7-8,15H2,1-2H3,(H,17,18).
What are the key properties of 4-[2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]ethoxy]benzohydrazide?
4-[2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]ethoxy]benzohydrazide has a molecular weight of 307.38 g/mol, XLogP of 2.07, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]ethoxy]benzohydrazide is sourced from PubChem (CID 106926311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).