2-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]chromen-4-one

C15H13N3O3 — CID 167905774

IUPAC2-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]chromen-4-one
SMILESNC1(c2noc(-c3cc(=O)c4ccccc4o3)n2)CCC1
InChIInChI=1S/C15H13N3O3/c16-15(6-3-7-15)14-17-13(21-18-14)12-8-10(19)9-4-1-2-5-11(9)20-12/h1-2,4-5,8H,3,6-7,16H2
InChIKeyOVWLYJWLYNPZSU-UHFFFAOYSA-N
MW283.29 g/mol
LogP2.18
Rot. Bonds2

About 2-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]chromen-4-one

2-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]chromen-4-one (PubChem CID 167905774) has the molecular formula C15H13N3O3 and a molecular weight of 283.29 g/mol. Its IUPAC name is 2-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]chromen-4-one.

Molecular Properties

Compound Name2-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]chromen-4-one
PubChem CID167905774
Molecular FormulaC15H13N3O3
Molecular Weight283.29 g/mol
Exact Mass283.10
IUPAC Name2-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]chromen-4-one
SMILESNC1(c2noc(-c3cc(=O)c4ccccc4o3)n2)CCC1
InChIInChI=1S/C15H13N3O3/c16-15(6-3-7-15)14-17-13(21-18-14)12-8-10(19)9-4-1-2-5-11(9)20-12/h1-2,4-5,8H,3,6-7,16H2
InChIKeyOVWLYJWLYNPZSU-UHFFFAOYSA-N
XLogP2.18
TPSA95.15 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.29
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]chromen-2-one;hydrochloride
CID 120863265
1-[5-[3-[(dimethylamino)methyl]-1-benzofuran-2-yl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine
CID 120856562
1-[5-[3-(methoxymethyl)-1-benzofuran-2-yl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride
CID 120851915
1-[5-(5-methylfuro[3,2-b]pyridin-2-yl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride
CID 120851641
3-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]chromen-2-one;hydrochloride
CID 120855673
1-[5-[5-(1-benzofuran-2-yl)-1H-pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine
CID 167952103
1-[5-(3,4-dichlorophenyl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
CID 120863388
3-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]-2H-isoquinolin-1-one;hydrochloride
CID 120852980
1-[5-(3-methylbenzo[g][1]benzofuran-2-yl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride
CID 120860993
1-[5-(3,4,5-trifluorophenyl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
CID 120864382
1-[5-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride
CID 120859779
1-[5-(2-pyrazol-1-ylphenyl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
CID 120859634

Frequently Asked Questions

What is the IUPAC name of 2-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]chromen-4-one?
The IUPAC name of 2-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]chromen-4-one (CID 167905774) is 2-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]chromen-4-one.
What is the SMILES notation for 2-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]chromen-4-one?
The canonical SMILES for 2-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]chromen-4-one is NC1(c2noc(-c3cc(=O)c4ccccc4o3)n2)CCC1.
What is the InChIKey of 2-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]chromen-4-one?
The InChIKey is OVWLYJWLYNPZSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O3/c16-15(6-3-7-15)14-17-13(21-18-14)12-8-10(19)9-4-1-2-5-11(9)20-12/h1-2,4-5,8H,3,6-7,16H2.
What are the key properties of 2-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]chromen-4-one?
2-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]chromen-4-one has a molecular weight of 283.29 g/mol, XLogP of 2.18, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]chromen-4-one is sourced from PubChem (CID 167905774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).