5-[3-(3-aminocyclobutyl)oxetan-3-yl]-3H-1,3-benzoxazol-2-one

C14H16N2O3 — CID 116871347

IUPAC5-[3-(3-aminocyclobutyl)oxetan-3-yl]-3H-1,3-benzoxazol-2-one
SMILESNC1CC(C2(c3ccc4oc(=O)[nH]c4c3)COC2)C1
InChIInChI=1S/C14H16N2O3/c15-10-3-9(4-10)14(6-18-7-14)8-1-2-12-11(5-8)16-13(17)19-12/h1-2,5,9-10H,3-4,6-7,15H2,(H,16,17)
InChIKeyGABVTQWBKPVKBF-UHFFFAOYSA-N
MW260.29 g/mol
LogP1.13
Rot. Bonds2

About 5-[3-(3-aminocyclobutyl)oxetan-3-yl]-3H-1,3-benzoxazol-2-one

5-[3-(3-aminocyclobutyl)oxetan-3-yl]-3H-1,3-benzoxazol-2-one (PubChem CID 116871347) has the molecular formula C14H16N2O3 and a molecular weight of 260.29 g/mol. Its IUPAC name is 5-[3-(3-aminocyclobutyl)oxetan-3-yl]-3H-1,3-benzoxazol-2-one.

Molecular Properties

Compound Name5-[3-(3-aminocyclobutyl)oxetan-3-yl]-3H-1,3-benzoxazol-2-one
PubChem CID116871347
Molecular FormulaC14H16N2O3
Molecular Weight260.29 g/mol
Exact Mass260.12
IUPAC Name5-[3-(3-aminocyclobutyl)oxetan-3-yl]-3H-1,3-benzoxazol-2-one
SMILESNC1CC(C2(c3ccc4oc(=O)[nH]c4c3)COC2)C1
InChIInChI=1S/C14H16N2O3/c15-10-3-9(4-10)14(6-18-7-14)8-1-2-12-11(5-8)16-13(17)19-12/h1-2,5,9-10H,3-4,6-7,15H2,(H,16,17)
InChIKeyGABVTQWBKPVKBF-UHFFFAOYSA-N
XLogP1.13
TPSA81.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-[3-(trifluoromethyl)oxetan-3-yl]-3H-1,3-benzoxazol-2-one
CID 116875894
5-[3-(2-amino-2-methylpropyl)oxetan-3-yl]-3H-1,3-benzoxazol-2-one
CID 116870011
5-[3-(3-hydroxypropyl)oxetan-3-yl]-3H-1,3-benzoxazol-2-one
CID 116871718
3-[3-(2-oxo-3H-1,3-benzoxazol-5-yl)oxetan-3-yl]propanoic acid
CID 116871960
2-[3-(2-oxo-3H-1,3-benzoxazol-5-yl)oxetan-3-yl]propanoic acid
CID 116872084
5-[3-[2-(methylamino)ethyl]oxetan-3-yl]-3H-1,3-benzoxazol-2-one
CID 116869696
5-[1-(hydroxymethyl)-2,2-dimethylcyclopropyl]-3H-1,3-benzoxazol-2-one
CID 116842709
5-amino-3H-1,3-benzoxazol-2-one
CID 26856
3-(2-oxo-3H-1,3-benzoxazol-6-yl)oxetane-3-carbonitrile
CID 116873199
5-[cyclopropyl(difluoro)methyl]-3H-1,3-benzoxazol-2-one
CID 116841733
5-[(3-aminocyclohexyl)amino]-3H-1,3-benzoxazol-2-one
CID 79458762
5-(4-hydroxy-2-oxopyrrolidin-1-yl)-3H-1,3-benzoxazol-2-one
CID 168703375

Frequently Asked Questions

What is the IUPAC name of 5-[3-(3-aminocyclobutyl)oxetan-3-yl]-3H-1,3-benzoxazol-2-one?
The IUPAC name of 5-[3-(3-aminocyclobutyl)oxetan-3-yl]-3H-1,3-benzoxazol-2-one (CID 116871347) is 5-[3-(3-aminocyclobutyl)oxetan-3-yl]-3H-1,3-benzoxazol-2-one.
What is the SMILES notation for 5-[3-(3-aminocyclobutyl)oxetan-3-yl]-3H-1,3-benzoxazol-2-one?
The canonical SMILES for 5-[3-(3-aminocyclobutyl)oxetan-3-yl]-3H-1,3-benzoxazol-2-one is NC1CC(C2(c3ccc4oc(=O)[nH]c4c3)COC2)C1.
What is the InChIKey of 5-[3-(3-aminocyclobutyl)oxetan-3-yl]-3H-1,3-benzoxazol-2-one?
The InChIKey is GABVTQWBKPVKBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O3/c15-10-3-9(4-10)14(6-18-7-14)8-1-2-12-11(5-8)16-13(17)19-12/h1-2,5,9-10H,3-4,6-7,15H2,(H,16,17).
What are the key properties of 5-[3-(3-aminocyclobutyl)oxetan-3-yl]-3H-1,3-benzoxazol-2-one?
5-[3-(3-aminocyclobutyl)oxetan-3-yl]-3H-1,3-benzoxazol-2-one has a molecular weight of 260.29 g/mol, XLogP of 1.13, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(3-aminocyclobutyl)oxetan-3-yl]-3H-1,3-benzoxazol-2-one is sourced from PubChem (CID 116871347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).