cyclohexyl 2-(6-nitro-2-oxo-1,3-benzoxazol-3-yl)acetate

C15H16N2O6 — CID 60562465

IUPACcyclohexyl 2-(6-nitro-2-oxo-1,3-benzoxazol-3-yl)acetate
SMILESO=C(Cn1c(=O)oc2cc([N+](=O)[O-])ccc21)OC1CCCCC1
InChIInChI=1S/C15H16N2O6/c18-14(22-11-4-2-1-3-5-11)9-16-12-7-6-10(17(20)21)8-13(12)23-15(16)19/h6-8,11H,1-5,9H2
InChIKeyOWWVTQGAZJKOHK-UHFFFAOYSA-N
MW320.30 g/mol
LogP2.38
Rot. Bonds4

About cyclohexyl 2-(6-nitro-2-oxo-1,3-benzoxazol-3-yl)acetate

cyclohexyl 2-(6-nitro-2-oxo-1,3-benzoxazol-3-yl)acetate (PubChem CID 60562465) has the molecular formula C15H16N2O6 and a molecular weight of 320.30 g/mol. Its IUPAC name is cyclohexyl 2-(6-nitro-2-oxo-1,3-benzoxazol-3-yl)acetate.

Molecular Properties

Compound Namecyclohexyl 2-(6-nitro-2-oxo-1,3-benzoxazol-3-yl)acetate
PubChem CID60562465
Molecular FormulaC15H16N2O6
Molecular Weight320.30 g/mol
Exact Mass320.10
IUPAC Namecyclohexyl 2-(6-nitro-2-oxo-1,3-benzoxazol-3-yl)acetate
SMILESO=C(Cn1c(=O)oc2cc([N+](=O)[O-])ccc21)OC1CCCCC1
InChIInChI=1S/C15H16N2O6/c18-14(22-11-4-2-1-3-5-11)9-16-12-7-6-10(17(20)21)8-13(12)23-15(16)19/h6-8,11H,1-5,9H2
InChIKeyOWWVTQGAZJKOHK-UHFFFAOYSA-N
XLogP2.38
TPSA104.58 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.30
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N-(3-cyclopentyloxyphenyl)-2-(6-nitro-2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 55563967
(2,4,6-trichlorophenyl) 2-(6-nitro-2-oxo-1,3-benzoxazol-3-yl)acetate
CID 55374488
[(1R,2R,3S,5R)-2,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl] 2-(6-nitro-2-oxo-1,3-benzoxazol-3-yl)acetate
CID 98291829
2-(6-nitro-2-oxo-1,3-benzoxazol-3-yl)-N-piperidin-1-ylacetamide
CID 9271920
N-[(1S,2R)-2-methylcyclohexyl]-2-(6-nitro-2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 9427764
[(2S)-1-[di(propan-2-yl)amino]-1-oxopropan-2-yl] 2-(6-nitro-2-oxo-1,3-benzoxazol-3-yl)acetate
CID 8951798
N-(4-bromophenyl)-2-(6-nitro-2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 9400129
N-(4-methoxyphenyl)-2-(6-nitro-2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 9402501
N-(2,4-difluorophenyl)-2-(6-nitro-2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 9408977
[(2S)-1-(tert-butylamino)-1-oxopropan-2-yl] 2-(6-nitro-2-oxo-1,3-benzoxazol-3-yl)acetate
CID 8951777
N-(3-cyclopentyloxy-4-methoxyphenyl)-4-(6-nitro-2-oxo-1,3-benzoxazol-3-yl)butanamide
CID 31871617
2-(6-nitro-2-oxo-1,3-benzoxazol-3-yl)-N-pentylacetamide
CID 78794436

Frequently Asked Questions

What is the IUPAC name of cyclohexyl 2-(6-nitro-2-oxo-1,3-benzoxazol-3-yl)acetate?
The IUPAC name of cyclohexyl 2-(6-nitro-2-oxo-1,3-benzoxazol-3-yl)acetate (CID 60562465) is cyclohexyl 2-(6-nitro-2-oxo-1,3-benzoxazol-3-yl)acetate.
What is the SMILES notation for cyclohexyl 2-(6-nitro-2-oxo-1,3-benzoxazol-3-yl)acetate?
The canonical SMILES for cyclohexyl 2-(6-nitro-2-oxo-1,3-benzoxazol-3-yl)acetate is O=C(Cn1c(=O)oc2cc([N+](=O)[O-])ccc21)OC1CCCCC1.
What is the InChIKey of cyclohexyl 2-(6-nitro-2-oxo-1,3-benzoxazol-3-yl)acetate?
The InChIKey is OWWVTQGAZJKOHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O6/c18-14(22-11-4-2-1-3-5-11)9-16-12-7-6-10(17(20)21)8-13(12)23-15(16)19/h6-8,11H,1-5,9H2.
What are the key properties of cyclohexyl 2-(6-nitro-2-oxo-1,3-benzoxazol-3-yl)acetate?
cyclohexyl 2-(6-nitro-2-oxo-1,3-benzoxazol-3-yl)acetate has a molecular weight of 320.30 g/mol, XLogP of 2.38, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl 2-(6-nitro-2-oxo-1,3-benzoxazol-3-yl)acetate is sourced from PubChem (CID 60562465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).