4-(6-fluoro-1,2-benzoxazol-3-yl)cyclohexane-1-carbohydrazide

C14H16FN3O2 — CID 58484940

IUPAC4-(6-fluoro-1,2-benzoxazol-3-yl)cyclohexane-1-carbohydrazide
SMILESNNC(=O)C1CCC(c2noc3cc(F)ccc23)CC1
InChIInChI=1S/C14H16FN3O2/c15-10-5-6-11-12(7-10)20-18-13(11)8-1-3-9(4-2-8)14(19)17-16/h5-9H,1-4,16H2,(H,17,19)
InChIKeyUYQUFDKGFNLMLX-UHFFFAOYSA-N
MW277.30 g/mol
LogP2.23
Rot. Bonds2

About 4-(6-fluoro-1,2-benzoxazol-3-yl)cyclohexane-1-carbohydrazide

4-(6-fluoro-1,2-benzoxazol-3-yl)cyclohexane-1-carbohydrazide (PubChem CID 58484940) has the molecular formula C14H16FN3O2 and a molecular weight of 277.30 g/mol. Its IUPAC name is 4-(6-fluoro-1,2-benzoxazol-3-yl)cyclohexane-1-carbohydrazide.

Molecular Properties

Compound Name4-(6-fluoro-1,2-benzoxazol-3-yl)cyclohexane-1-carbohydrazide
PubChem CID58484940
Molecular FormulaC14H16FN3O2
Molecular Weight277.30 g/mol
Exact Mass277.12
IUPAC Name4-(6-fluoro-1,2-benzoxazol-3-yl)cyclohexane-1-carbohydrazide
SMILESNNC(=O)C1CCC(c2noc3cc(F)ccc23)CC1
InChIInChI=1S/C14H16FN3O2/c15-10-5-6-11-12(7-10)20-18-13(11)8-1-3-9(4-2-8)14(19)17-16/h5-9H,1-4,16H2,(H,17,19)
InChIKeyUYQUFDKGFNLMLX-UHFFFAOYSA-N
XLogP2.23
TPSA81.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.30
LogP ≤ 52.23
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-(6-fluoro-1,2-benzoxazol-3-yl)cyclohexane-1-carbohydrazide?
The IUPAC name of 4-(6-fluoro-1,2-benzoxazol-3-yl)cyclohexane-1-carbohydrazide (CID 58484940) is 4-(6-fluoro-1,2-benzoxazol-3-yl)cyclohexane-1-carbohydrazide.
What is the SMILES notation for 4-(6-fluoro-1,2-benzoxazol-3-yl)cyclohexane-1-carbohydrazide?
The canonical SMILES for 4-(6-fluoro-1,2-benzoxazol-3-yl)cyclohexane-1-carbohydrazide is NNC(=O)C1CCC(c2noc3cc(F)ccc23)CC1.
What is the InChIKey of 4-(6-fluoro-1,2-benzoxazol-3-yl)cyclohexane-1-carbohydrazide?
The InChIKey is UYQUFDKGFNLMLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FN3O2/c15-10-5-6-11-12(7-10)20-18-13(11)8-1-3-9(4-2-8)14(19)17-16/h5-9H,1-4,16H2,(H,17,19).
What are the key properties of 4-(6-fluoro-1,2-benzoxazol-3-yl)cyclohexane-1-carbohydrazide?
4-(6-fluoro-1,2-benzoxazol-3-yl)cyclohexane-1-carbohydrazide has a molecular weight of 277.30 g/mol, XLogP of 2.23, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-fluoro-1,2-benzoxazol-3-yl)cyclohexane-1-carbohydrazide is sourced from PubChem (CID 58484940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).