3-[3-[[3-(furan-2-ylmethylamino)oxetan-3-yl]methyl]-1,2-oxazol-5-yl]phenol

C18H18N2O4 — CID 56775736

IUPAC3-[3-[[3-(furan-2-ylmethylamino)oxetan-3-yl]methyl]-1,2-oxazol-5-yl]phenol
SMILESOc1cccc(-c2cc(CC3(NCc4ccco4)COC3)no2)c1
InChIInChI=1S/C18H18N2O4/c21-15-4-1-3-13(7-15)17-8-14(20-24-17)9-18(11-22-12-18)19-10-16-5-2-6-23-16/h1-8,19,21H,9-12H2
InChIKeyLMBNYQBAGQAINS-UHFFFAOYSA-N
MW326.35 g/mol
LogP2.74
Rot. Bonds6

About 3-[3-[[3-(furan-2-ylmethylamino)oxetan-3-yl]methyl]-1,2-oxazol-5-yl]phenol

3-[3-[[3-(furan-2-ylmethylamino)oxetan-3-yl]methyl]-1,2-oxazol-5-yl]phenol (PubChem CID 56775736) has the molecular formula C18H18N2O4 and a molecular weight of 326.35 g/mol. Its IUPAC name is 3-[3-[[3-(furan-2-ylmethylamino)oxetan-3-yl]methyl]-1,2-oxazol-5-yl]phenol.

Molecular Properties

Compound Name3-[3-[[3-(furan-2-ylmethylamino)oxetan-3-yl]methyl]-1,2-oxazol-5-yl]phenol
PubChem CID56775736
Molecular FormulaC18H18N2O4
Molecular Weight326.35 g/mol
Exact Mass326.13
IUPAC Name3-[3-[[3-(furan-2-ylmethylamino)oxetan-3-yl]methyl]-1,2-oxazol-5-yl]phenol
SMILESOc1cccc(-c2cc(CC3(NCc4ccco4)COC3)no2)c1
InChIInChI=1S/C18H18N2O4/c21-15-4-1-3-13(7-15)17-8-14(20-24-17)9-18(11-22-12-18)19-10-16-5-2-6-23-16/h1-8,19,21H,9-12H2
InChIKeyLMBNYQBAGQAINS-UHFFFAOYSA-N
XLogP2.74
TPSA80.66 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.35
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-[(5-phenyl-1,2-oxazol-3-yl)methyl]-N-[[4-(trifluoromethoxy)phenyl]methyl]oxetan-3-amine
CID 71694078
N-(1,3-benzodioxol-4-ylmethyl)-3-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methyl]oxetan-3-amine
CID 56775490
N-[(4-fluorophenyl)methyl]-3-[(5-pyridin-2-yl-1,2-oxazol-3-yl)methyl]oxetan-3-amine
CID 56775702
N-(furan-2-ylmethyl)-5-phenyl-1,2-oxazole-3-carboxamide
CID 973870
N-[(3-methoxyphenyl)methyl]-3-[(5-pyridin-2-yl-1,2-oxazol-3-yl)methyl]oxetan-3-amine
CID 56775709
N-[(2-methoxyphenyl)methyl]-3-[(5-pyridin-2-yl-1,2-oxazol-3-yl)methyl]oxetan-3-amine
CID 56775708
[3-[[3-(quinolin-3-ylmethylamino)oxetan-3-yl]methyl]-1,2-oxazol-5-yl]methanol
CID 56775585
3-[(5-phenyl-1,2-oxazol-3-yl)methylsulfanyl]phenol
CID 104590242
N-cyclobutyl-3-[(5-pyridin-2-yl-1,2-oxazol-3-yl)methyl]oxetan-3-amine
CID 56775697
3-[3-(1-hydroxy-2-piperidin-1-ylethyl)-1,2-oxazol-5-yl]phenol
CID 3041355
1-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]-N-(furan-2-ylmethyl)cyclopropane-1-carboxamide
CID 90504356
N-[[5-(furan-2-ylmethoxymethyl)-1,2-oxazol-3-yl]methyl]ethanamine
CID 62444852

Frequently Asked Questions

What is the IUPAC name of 3-[3-[[3-(furan-2-ylmethylamino)oxetan-3-yl]methyl]-1,2-oxazol-5-yl]phenol?
The IUPAC name of 3-[3-[[3-(furan-2-ylmethylamino)oxetan-3-yl]methyl]-1,2-oxazol-5-yl]phenol (CID 56775736) is 3-[3-[[3-(furan-2-ylmethylamino)oxetan-3-yl]methyl]-1,2-oxazol-5-yl]phenol.
What is the SMILES notation for 3-[3-[[3-(furan-2-ylmethylamino)oxetan-3-yl]methyl]-1,2-oxazol-5-yl]phenol?
The canonical SMILES for 3-[3-[[3-(furan-2-ylmethylamino)oxetan-3-yl]methyl]-1,2-oxazol-5-yl]phenol is Oc1cccc(-c2cc(CC3(NCc4ccco4)COC3)no2)c1.
What is the InChIKey of 3-[3-[[3-(furan-2-ylmethylamino)oxetan-3-yl]methyl]-1,2-oxazol-5-yl]phenol?
The InChIKey is LMBNYQBAGQAINS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O4/c21-15-4-1-3-13(7-15)17-8-14(20-24-17)9-18(11-22-12-18)19-10-16-5-2-6-23-16/h1-8,19,21H,9-12H2.
What are the key properties of 3-[3-[[3-(furan-2-ylmethylamino)oxetan-3-yl]methyl]-1,2-oxazol-5-yl]phenol?
3-[3-[[3-(furan-2-ylmethylamino)oxetan-3-yl]methyl]-1,2-oxazol-5-yl]phenol has a molecular weight of 326.35 g/mol, XLogP of 2.74, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[[3-(furan-2-ylmethylamino)oxetan-3-yl]methyl]-1,2-oxazol-5-yl]phenol is sourced from PubChem (CID 56775736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).