3-(2-hydroxycyclopentyl)-5-nitro-1,3-benzoxazol-2-one

C12H12N2O5 — CID 60884906

IUPAC3-(2-hydroxycyclopentyl)-5-nitro-1,3-benzoxazol-2-one
SMILESO=c1oc2ccc([N+](=O)[O-])cc2n1C1CCCC1O
InChIInChI=1S/C12H12N2O5/c15-10-3-1-2-8(10)13-9-6-7(14(17)18)4-5-11(9)19-12(13)16/h4-6,8,10,15H,1-3H2
InChIKeyMBNDIVUXDIGYHY-UHFFFAOYSA-N
MW264.24 g/mol
LogP1.59
Rot. Bonds2

About 3-(2-hydroxycyclopentyl)-5-nitro-1,3-benzoxazol-2-one

3-(2-hydroxycyclopentyl)-5-nitro-1,3-benzoxazol-2-one (PubChem CID 60884906) has the molecular formula C12H12N2O5 and a molecular weight of 264.24 g/mol. Its IUPAC name is 3-(2-hydroxycyclopentyl)-5-nitro-1,3-benzoxazol-2-one.

Molecular Properties

Compound Name3-(2-hydroxycyclopentyl)-5-nitro-1,3-benzoxazol-2-one
PubChem CID60884906
Molecular FormulaC12H12N2O5
Molecular Weight264.24 g/mol
Exact Mass264.07
IUPAC Name3-(2-hydroxycyclopentyl)-5-nitro-1,3-benzoxazol-2-one
SMILESO=c1oc2ccc([N+](=O)[O-])cc2n1C1CCCC1O
InChIInChI=1S/C12H12N2O5/c15-10-3-1-2-8(10)13-9-6-7(14(17)18)4-5-11(9)19-12(13)16/h4-6,8,10,15H,1-3H2
InChIKeyMBNDIVUXDIGYHY-UHFFFAOYSA-N
XLogP1.59
TPSA98.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.24
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

5-nitro-3-[3-(5-nitro-2-oxo-1,3-benzoxazol-3-yl)propyl]-1,3-benzoxazol-2-one
CID 86964767
trans-(1R,2R)-2-(6-nitroindazol-1-yl)cyclohexan-1-ol
CID 102732364
2-(5-nitro-2-oxo-1,3-benzoxazol-3-yl)acetohydrazide
CID 63578672
5-nitro-3-(2-oxobutyl)-1,3-benzoxazol-2-one
CID 62040396
5-nitro-3-(3-oxobutan-2-yl)-1,3-benzoxazol-2-one
CID 62025249
3-[2-(1-adamantyl)-2-oxoethyl]-5-nitro-1,3-benzoxazol-2-one
CID 39538205
cyclohexyl 2-(6-nitro-2-oxo-1,3-benzoxazol-3-yl)acetate
CID 60562465
3-(2-morpholin-4-yl-2-oxoethyl)-5-nitro-1,3-benzoxazol-2-one
CID 35353500
3-[(1S,2S)-2-hydroxycyclopentyl]-6-nitroquinazolin-4-one
CID 102735053
5-nitro-3-(4-oxohexyl)-1,3-benzoxazol-2-one
CID 106801710
N-cyclopropyl-3-[[2-(5-nitro-2-oxo-1,3-benzoxazol-3-yl)acetyl]amino]benzamide
CID 32892171
3-[[4-(2-methylpropoxy)piperidin-1-yl]methyl]-5-nitro-1,3-benzoxazol-2-one
CID 47060803

Frequently Asked Questions

What is the IUPAC name of 3-(2-hydroxycyclopentyl)-5-nitro-1,3-benzoxazol-2-one?
The IUPAC name of 3-(2-hydroxycyclopentyl)-5-nitro-1,3-benzoxazol-2-one (CID 60884906) is 3-(2-hydroxycyclopentyl)-5-nitro-1,3-benzoxazol-2-one.
What is the SMILES notation for 3-(2-hydroxycyclopentyl)-5-nitro-1,3-benzoxazol-2-one?
The canonical SMILES for 3-(2-hydroxycyclopentyl)-5-nitro-1,3-benzoxazol-2-one is O=c1oc2ccc([N+](=O)[O-])cc2n1C1CCCC1O.
What is the InChIKey of 3-(2-hydroxycyclopentyl)-5-nitro-1,3-benzoxazol-2-one?
The InChIKey is MBNDIVUXDIGYHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O5/c15-10-3-1-2-8(10)13-9-6-7(14(17)18)4-5-11(9)19-12(13)16/h4-6,8,10,15H,1-3H2.
What are the key properties of 3-(2-hydroxycyclopentyl)-5-nitro-1,3-benzoxazol-2-one?
3-(2-hydroxycyclopentyl)-5-nitro-1,3-benzoxazol-2-one has a molecular weight of 264.24 g/mol, XLogP of 1.59, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-hydroxycyclopentyl)-5-nitro-1,3-benzoxazol-2-one is sourced from PubChem (CID 60884906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).