5-methyl-N'-propan-2-yl-1,2-oxazole-3-carbohydrazide

C8H13N3O2 — CID 24839857

IUPAC5-methyl-N'-propan-2-yl-1,2-oxazole-3-carbohydrazide
SMILESCc1cc(C(=O)NNC(C)C)no1
InChIInChI=1S/C8H13N3O2/c1-5(2)9-10-8(12)7-4-6(3)13-11-7/h4-5,9H,1-3H3,(H,10,12)
InChIKeyDAQQAHUPISFSRS-UHFFFAOYSA-N
MW183.21 g/mol
LogP0.63
Rot. Bonds3

About 5-methyl-N'-propan-2-yl-1,2-oxazole-3-carbohydrazide

5-methyl-N'-propan-2-yl-1,2-oxazole-3-carbohydrazide (PubChem CID 24839857) has the molecular formula C8H13N3O2 and a molecular weight of 183.21 g/mol. Its IUPAC name is 5-methyl-N'-propan-2-yl-1,2-oxazole-3-carbohydrazide.

Molecular Properties

Compound Name5-methyl-N'-propan-2-yl-1,2-oxazole-3-carbohydrazide
PubChem CID24839857
Molecular FormulaC8H13N3O2
Molecular Weight183.21 g/mol
Exact Mass183.10
IUPAC Name5-methyl-N'-propan-2-yl-1,2-oxazole-3-carbohydrazide
SMILESCc1cc(C(=O)NNC(C)C)no1
InChIInChI=1S/C8H13N3O2/c1-5(2)9-10-8(12)7-4-6(3)13-11-7/h4-5,9H,1-3H3,(H,10,12)
InChIKeyDAQQAHUPISFSRS-UHFFFAOYSA-N
XLogP0.63
TPSA67.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.21
LogP ≤ 50.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-N'-propan-2-yl-1,2-oxazole-3-carbohydrazide?
The IUPAC name of 5-methyl-N'-propan-2-yl-1,2-oxazole-3-carbohydrazide (CID 24839857) is 5-methyl-N'-propan-2-yl-1,2-oxazole-3-carbohydrazide.
What is the SMILES notation for 5-methyl-N'-propan-2-yl-1,2-oxazole-3-carbohydrazide?
The canonical SMILES for 5-methyl-N'-propan-2-yl-1,2-oxazole-3-carbohydrazide is Cc1cc(C(=O)NNC(C)C)no1.
What is the InChIKey of 5-methyl-N'-propan-2-yl-1,2-oxazole-3-carbohydrazide?
The InChIKey is DAQQAHUPISFSRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O2/c1-5(2)9-10-8(12)7-4-6(3)13-11-7/h4-5,9H,1-3H3,(H,10,12).
What are the key properties of 5-methyl-N'-propan-2-yl-1,2-oxazole-3-carbohydrazide?
5-methyl-N'-propan-2-yl-1,2-oxazole-3-carbohydrazide has a molecular weight of 183.21 g/mol, XLogP of 0.63, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N'-propan-2-yl-1,2-oxazole-3-carbohydrazide is sourced from PubChem (CID 24839857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).