4-(4-methyl-1,3-oxazol-2-yl)cyclohexane-1-carbohydrazide

C11H17N3O2 — CID 58509441

IUPAC4-(4-methyl-1,3-oxazol-2-yl)cyclohexane-1-carbohydrazide
SMILESCc1coc(C2CCC(C(=O)NN)CC2)n1
InChIInChI=1S/C11H17N3O2/c1-7-6-16-11(13-7)9-4-2-8(3-5-9)10(15)14-12/h6,8-9H,2-5,12H2,1H3,(H,14,15)
InChIKeyQJCPOMMDNVLUOM-UHFFFAOYSA-N
MW223.28 g/mol
LogP1.25
Rot. Bonds2

About 4-(4-methyl-1,3-oxazol-2-yl)cyclohexane-1-carbohydrazide

4-(4-methyl-1,3-oxazol-2-yl)cyclohexane-1-carbohydrazide (PubChem CID 58509441) has the molecular formula C11H17N3O2 and a molecular weight of 223.28 g/mol. Its IUPAC name is 4-(4-methyl-1,3-oxazol-2-yl)cyclohexane-1-carbohydrazide.

Molecular Properties

Compound Name4-(4-methyl-1,3-oxazol-2-yl)cyclohexane-1-carbohydrazide
PubChem CID58509441
Molecular FormulaC11H17N3O2
Molecular Weight223.28 g/mol
Exact Mass223.13
IUPAC Name4-(4-methyl-1,3-oxazol-2-yl)cyclohexane-1-carbohydrazide
SMILESCc1coc(C2CCC(C(=O)NN)CC2)n1
InChIInChI=1S/C11H17N3O2/c1-7-6-16-11(13-7)9-4-2-8(3-5-9)10(15)14-12/h6,8-9H,2-5,12H2,1H3,(H,14,15)
InChIKeyQJCPOMMDNVLUOM-UHFFFAOYSA-N
XLogP1.25
TPSA81.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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 4-(4-methyl-1,3-oxazol-2-yl)cyclohexane-1-carbohydrazide?
The IUPAC name of 4-(4-methyl-1,3-oxazol-2-yl)cyclohexane-1-carbohydrazide (CID 58509441) is 4-(4-methyl-1,3-oxazol-2-yl)cyclohexane-1-carbohydrazide.
What is the SMILES notation for 4-(4-methyl-1,3-oxazol-2-yl)cyclohexane-1-carbohydrazide?
The canonical SMILES for 4-(4-methyl-1,3-oxazol-2-yl)cyclohexane-1-carbohydrazide is Cc1coc(C2CCC(C(=O)NN)CC2)n1.
What is the InChIKey of 4-(4-methyl-1,3-oxazol-2-yl)cyclohexane-1-carbohydrazide?
The InChIKey is QJCPOMMDNVLUOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2/c1-7-6-16-11(13-7)9-4-2-8(3-5-9)10(15)14-12/h6,8-9H,2-5,12H2,1H3,(H,14,15).
What are the key properties of 4-(4-methyl-1,3-oxazol-2-yl)cyclohexane-1-carbohydrazide?
4-(4-methyl-1,3-oxazol-2-yl)cyclohexane-1-carbohydrazide has a molecular weight of 223.28 g/mol, XLogP of 1.25, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methyl-1,3-oxazol-2-yl)cyclohexane-1-carbohydrazide is sourced from PubChem (CID 58509441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).