2-[2-[(4-methyl-1,3-oxazol-2-yl)sulfanylmethyl]phenyl]acetohydrazide

C13H15N3O2S — CID 106926255

IUPAC2-[2-[(4-methyl-1,3-oxazol-2-yl)sulfanylmethyl]phenyl]acetohydrazide
SMILESCc1coc(SCc2ccccc2CC(=O)NN)n1
InChIInChI=1S/C13H15N3O2S/c1-9-7-18-13(15-9)19-8-11-5-3-2-4-10(11)6-12(17)16-14/h2-5,7H,6,8,14H2,1H3,(H,16,17)
InChIKeyCAUFPSSBBAEMAM-UHFFFAOYSA-N
MW277.35 g/mol
LogP1.81
Rot. Bonds5

About 2-[2-[(4-methyl-1,3-oxazol-2-yl)sulfanylmethyl]phenyl]acetohydrazide

2-[2-[(4-methyl-1,3-oxazol-2-yl)sulfanylmethyl]phenyl]acetohydrazide (PubChem CID 106926255) has the molecular formula C13H15N3O2S and a molecular weight of 277.35 g/mol. Its IUPAC name is 2-[2-[(4-methyl-1,3-oxazol-2-yl)sulfanylmethyl]phenyl]acetohydrazide.

Molecular Properties

Compound Name2-[2-[(4-methyl-1,3-oxazol-2-yl)sulfanylmethyl]phenyl]acetohydrazide
PubChem CID106926255
Molecular FormulaC13H15N3O2S
Molecular Weight277.35 g/mol
Exact Mass277.09
IUPAC Name2-[2-[(4-methyl-1,3-oxazol-2-yl)sulfanylmethyl]phenyl]acetohydrazide
SMILESCc1coc(SCc2ccccc2CC(=O)NN)n1
InChIInChI=1S/C13H15N3O2S/c1-9-7-18-13(15-9)19-8-11-5-3-2-4-10(11)6-12(17)16-14/h2-5,7H,6,8,14H2,1H3,(H,16,17)
InChIKeyCAUFPSSBBAEMAM-UHFFFAOYSA-N
XLogP1.81
TPSA81.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.35
LogP ≤ 51.81
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

2-[2-[(2-amino-4-methyl-1,3-thiazol-5-yl)sulfanylmethyl]phenyl]acetohydrazide
CID 115465721
3-[(4-methyl-1,3-oxazol-2-yl)sulfanylmethyl]-1-benzothiophene-2-carbohydrazide
CID 106926276
3-[2-[(4-methyl-1,3-oxazol-2-yl)sulfanylmethyl]phenyl]prop-2-yn-1-amine
CID 106924414
N-(4-methyl-1,3-oxazol-2-yl)-2-phenylacetamide
CID 12556858
3-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-2-phenylpropanoic acid
CID 106920797
2-(ethylamino)-3-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-2-phenylpropanoic acid
CID 106925188
6-[(4-methyl-1,3-oxazol-2-yl)sulfanylmethyl]pyridin-2-amine
CID 106925597
ethyl 3-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]propanoate
CID 106920837
2-amino-2-methyl-3-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]propanoic acid
CID 106925128
2-[(4-methyl-1,3-oxazol-2-yl)sulfanylmethyl]-6-nitro-N-propylaniline
CID 107352852
N-(4-aminophenyl)-3-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]propanamide
CID 106922124
5-[(4-methyl-1,3-oxazol-2-yl)sulfanylmethyl]furan-2-carbaldehyde
CID 106924061

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(4-methyl-1,3-oxazol-2-yl)sulfanylmethyl]phenyl]acetohydrazide?
The IUPAC name of 2-[2-[(4-methyl-1,3-oxazol-2-yl)sulfanylmethyl]phenyl]acetohydrazide (CID 106926255) is 2-[2-[(4-methyl-1,3-oxazol-2-yl)sulfanylmethyl]phenyl]acetohydrazide.
What is the SMILES notation for 2-[2-[(4-methyl-1,3-oxazol-2-yl)sulfanylmethyl]phenyl]acetohydrazide?
The canonical SMILES for 2-[2-[(4-methyl-1,3-oxazol-2-yl)sulfanylmethyl]phenyl]acetohydrazide is Cc1coc(SCc2ccccc2CC(=O)NN)n1.
What is the InChIKey of 2-[2-[(4-methyl-1,3-oxazol-2-yl)sulfanylmethyl]phenyl]acetohydrazide?
The InChIKey is CAUFPSSBBAEMAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2S/c1-9-7-18-13(15-9)19-8-11-5-3-2-4-10(11)6-12(17)16-14/h2-5,7H,6,8,14H2,1H3,(H,16,17).
What are the key properties of 2-[2-[(4-methyl-1,3-oxazol-2-yl)sulfanylmethyl]phenyl]acetohydrazide?
2-[2-[(4-methyl-1,3-oxazol-2-yl)sulfanylmethyl]phenyl]acetohydrazide has a molecular weight of 277.35 g/mol, XLogP of 1.81, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(4-methyl-1,3-oxazol-2-yl)sulfanylmethyl]phenyl]acetohydrazide is sourced from PubChem (CID 106926255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).