8-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methylamino]-2,2-dimethyl-3,4-dihydrochromen-4-ol

C18H19N3O4 — CID 138020740

IUPAC8-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methylamino]-2,2-dimethyl-3,4-dihydrochromen-4-ol
SMILESCC1(C)CC(O)c2cccc(NCc3nc(-c4ccco4)no3)c2O1
InChIInChI=1S/C18H19N3O4/c1-18(2)9-13(22)11-5-3-6-12(16(11)24-18)19-10-15-20-17(21-25-15)14-7-4-8-23-14/h3-8,13,19,22H,9-10H2,1-2H3
InChIKeyZVESYNNSFHPZIS-UHFFFAOYSA-N
MW341.37 g/mol
LogP3.54
Rot. Bonds4

About 8-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methylamino]-2,2-dimethyl-3,4-dihydrochromen-4-ol

8-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methylamino]-2,2-dimethyl-3,4-dihydrochromen-4-ol (PubChem CID 138020740) has the molecular formula C18H19N3O4 and a molecular weight of 341.37 g/mol. Its IUPAC name is 8-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methylamino]-2,2-dimethyl-3,4-dihydrochromen-4-ol.

Molecular Properties

Compound Name8-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methylamino]-2,2-dimethyl-3,4-dihydrochromen-4-ol
PubChem CID138020740
Molecular FormulaC18H19N3O4
Molecular Weight341.37 g/mol
Exact Mass341.14
IUPAC Name8-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methylamino]-2,2-dimethyl-3,4-dihydrochromen-4-ol
SMILESCC1(C)CC(O)c2cccc(NCc3nc(-c4ccco4)no3)c2O1
InChIInChI=1S/C18H19N3O4/c1-18(2)9-13(22)11-5-3-6-12(16(11)24-18)19-10-15-20-17(21-25-15)14-7-4-8-23-14/h3-8,13,19,22H,9-10H2,1-2H3
InChIKeyZVESYNNSFHPZIS-UHFFFAOYSA-N
XLogP3.54
TPSA93.55 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.37
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 8-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methylamino]-2,2-dimethyl-3,4-dihydrochromen-4-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-1,2-dihydroacenaphthylen-5-amine
CID 134019621
(3S,4R)-1-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-6,6-dimethylazepane-3,4-diol
CID 166294010
N-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-2-(2,2,2-trifluoroethylsulfanyl)aniline
CID 55551771
N-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]cyclopentanamine
CID 62716647
N-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-2-methoxydibenzofuran-3-amine
CID 134019628
4-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methylamino]-N-(2-methylbutan-2-yl)benzamide
CID 51121709
4-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methylamino]benzonitrile
CID 47153889
3,3,3-trifluoro-2-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methylamino]-2-methylpropanoic acid
CID 79789396
N-[2-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]phenyl]-3-methyloxetane-3-carboxamide
CID 146022520
1-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methylamino]cyclobutane-1-carboxylic acid
CID 81167549
5-chloro-N-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-2-morpholin-4-ylaniline
CID 43052587
4-(difluoromethoxy)-N-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]aniline
CID 34067149

Frequently Asked Questions

What is the IUPAC name of 8-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methylamino]-2,2-dimethyl-3,4-dihydrochromen-4-ol?
The IUPAC name of 8-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methylamino]-2,2-dimethyl-3,4-dihydrochromen-4-ol (CID 138020740) is 8-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methylamino]-2,2-dimethyl-3,4-dihydrochromen-4-ol.
What is the SMILES notation for 8-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methylamino]-2,2-dimethyl-3,4-dihydrochromen-4-ol?
The canonical SMILES for 8-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methylamino]-2,2-dimethyl-3,4-dihydrochromen-4-ol is CC1(C)CC(O)c2cccc(NCc3nc(-c4ccco4)no3)c2O1.
What is the InChIKey of 8-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methylamino]-2,2-dimethyl-3,4-dihydrochromen-4-ol?
The InChIKey is ZVESYNNSFHPZIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O4/c1-18(2)9-13(22)11-5-3-6-12(16(11)24-18)19-10-15-20-17(21-25-15)14-7-4-8-23-14/h3-8,13,19,22H,9-10H2,1-2H3.
What are the key properties of 8-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methylamino]-2,2-dimethyl-3,4-dihydrochromen-4-ol?
8-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methylamino]-2,2-dimethyl-3,4-dihydrochromen-4-ol has a molecular weight of 341.37 g/mol, XLogP of 3.54, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methylamino]-2,2-dimethyl-3,4-dihydrochromen-4-ol is sourced from PubChem (CID 138020740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).