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

C10H17N3O2S — CID 106926301

IUPAC2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-3-methylbutanehydrazide
SMILESCc1nc(SC(C(=O)NN)C(C)C)oc1C
InChIInChI=1S/C10H17N3O2S/c1-5(2)8(9(14)13-11)16-10-12-6(3)7(4)15-10/h5,8H,11H2,1-4H3,(H,13,14)
InChIKeyAWCVQRLUDMXTRJ-UHFFFAOYSA-N
MW243.33 g/mol
LogP1.40
Rot. Bonds4

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

2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-3-methylbutanehydrazide (PubChem CID 106926301) has the molecular formula C10H17N3O2S and a molecular weight of 243.33 g/mol. Its IUPAC name is 2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-3-methylbutanehydrazide.

Molecular Properties

Compound Name2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-3-methylbutanehydrazide
PubChem CID106926301
Molecular FormulaC10H17N3O2S
Molecular Weight243.33 g/mol
Exact Mass243.10
IUPAC Name2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-3-methylbutanehydrazide
SMILESCc1nc(SC(C(=O)NN)C(C)C)oc1C
InChIInChI=1S/C10H17N3O2S/c1-5(2)8(9(14)13-11)16-10-12-6(3)7(4)15-10/h5,8H,11H2,1-4H3,(H,13,14)
InChIKeyAWCVQRLUDMXTRJ-UHFFFAOYSA-N
XLogP1.40
TPSA81.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.33
LogP ≤ 51.40
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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Frequently Asked Questions

What is the IUPAC name of 2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-3-methylbutanehydrazide?
The IUPAC name of 2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-3-methylbutanehydrazide (CID 106926301) is 2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-3-methylbutanehydrazide.
What is the SMILES notation for 2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-3-methylbutanehydrazide?
The canonical SMILES for 2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-3-methylbutanehydrazide is Cc1nc(SC(C(=O)NN)C(C)C)oc1C.
What is the InChIKey of 2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-3-methylbutanehydrazide?
The InChIKey is AWCVQRLUDMXTRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O2S/c1-5(2)8(9(14)13-11)16-10-12-6(3)7(4)15-10/h5,8H,11H2,1-4H3,(H,13,14).
What are the key properties of 2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-3-methylbutanehydrazide?
2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-3-methylbutanehydrazide has a molecular weight of 243.33 g/mol, XLogP of 1.40, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-3-methylbutanehydrazide is sourced from PubChem (CID 106926301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).