2-(2,5-dimethylfuran-3-yl)-1-[[4-(3-ethyl-1,2,4-oxadiazol-5-yl)cyclohexyl]amino]propan-2-ol

C19H29N3O3 — CID 110012312

IUPAC2-(2,5-dimethylfuran-3-yl)-1-[[4-(3-ethyl-1,2,4-oxadiazol-5-yl)cyclohexyl]amino]propan-2-ol
SMILESCCc1noc(C2CCC(NCC(C)(O)c3cc(C)oc3C)CC2)n1
InChIInChI=1S/C19H29N3O3/c1-5-17-21-18(25-22-17)14-6-8-15(9-7-14)20-11-19(4,23)16-10-12(2)24-13(16)3/h10,14-15,20,23H,5-9,11H2,1-4H3
InChIKeyZBAKTLGBCYGIMR-UHFFFAOYSA-N
MW347.46 g/mol
LogP3.37
Rot. Bonds6

About 2-(2,5-dimethylfuran-3-yl)-1-[[4-(3-ethyl-1,2,4-oxadiazol-5-yl)cyclohexyl]amino]propan-2-ol

2-(2,5-dimethylfuran-3-yl)-1-[[4-(3-ethyl-1,2,4-oxadiazol-5-yl)cyclohexyl]amino]propan-2-ol (PubChem CID 110012312) has the molecular formula C19H29N3O3 and a molecular weight of 347.46 g/mol. Its IUPAC name is 2-(2,5-dimethylfuran-3-yl)-1-[[4-(3-ethyl-1,2,4-oxadiazol-5-yl)cyclohexyl]amino]propan-2-ol.

Molecular Properties

Compound Name2-(2,5-dimethylfuran-3-yl)-1-[[4-(3-ethyl-1,2,4-oxadiazol-5-yl)cyclohexyl]amino]propan-2-ol
PubChem CID110012312
Molecular FormulaC19H29N3O3
Molecular Weight347.46 g/mol
Exact Mass347.22
IUPAC Name2-(2,5-dimethylfuran-3-yl)-1-[[4-(3-ethyl-1,2,4-oxadiazol-5-yl)cyclohexyl]amino]propan-2-ol
SMILESCCc1noc(C2CCC(NCC(C)(O)c3cc(C)oc3C)CC2)n1
InChIInChI=1S/C19H29N3O3/c1-5-17-21-18(25-22-17)14-6-8-15(9-7-14)20-11-19(4,23)16-10-12(2)24-13(16)3/h10,14-15,20,23H,5-9,11H2,1-4H3
InChIKeyZBAKTLGBCYGIMR-UHFFFAOYSA-N
XLogP3.37
TPSA84.32 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-(2,5-dimethylfuran-3-yl)-1-[[4-(3-ethyl-1,2,4-oxadiazol-5-yl)cyclohexyl]amino]propan-2-ol with MolForge

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Related Compounds

2-(2,5-dimethylfuran-3-yl)-1-[(1-methylpiperidin-4-yl)amino]propan-2-ol
CID 111755766
[2-[[[4-(3-ethyl-1,2,4-oxadiazol-5-yl)cyclohexyl]amino]methyl]phenyl]methanol
CID 110013138
(2R)-2-(2,5-dimethylfuran-3-yl)-1-[[1-(pyridin-3-ylmethyl)piperidin-4-yl]amino]propan-2-ol
CID 124600700
3-[[[4-(3-ethyl-1,2,4-oxadiazol-5-yl)cyclohexyl]amino]methyl]pentan-1-ol
CID 110013337
4-(3-ethyl-1,2,4-oxadiazol-5-yl)cyclohexan-1-amine
CID 60812048
N-ethyl-4-[3-(propoxymethyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine
CID 63350837
6-[[[4-(3-ethyl-1,2,4-oxadiazol-5-yl)cyclohexyl]amino]methyl]pyridine-3-carbonitrile
CID 138042647
N-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]acetamide
CID 111478975
4-[3-(ethylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]-N-methylcyclohexan-1-amine
CID 65129910
3-[[4-(3-ethyl-1,2,4-oxadiazol-5-yl)cyclohexyl]amino]-4-methylsulfanylbutan-1-ol
CID 110012282
N-ethyl-4-[3-(methylsulfonylmethyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine
CID 55202619
[2-[[4-(3-ethyl-1,2,4-oxadiazol-5-yl)cyclohexyl]amino]-1-methylcyclopentyl]methanol
CID 75473258

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethylfuran-3-yl)-1-[[4-(3-ethyl-1,2,4-oxadiazol-5-yl)cyclohexyl]amino]propan-2-ol?
The IUPAC name of 2-(2,5-dimethylfuran-3-yl)-1-[[4-(3-ethyl-1,2,4-oxadiazol-5-yl)cyclohexyl]amino]propan-2-ol (CID 110012312) is 2-(2,5-dimethylfuran-3-yl)-1-[[4-(3-ethyl-1,2,4-oxadiazol-5-yl)cyclohexyl]amino]propan-2-ol.
What is the SMILES notation for 2-(2,5-dimethylfuran-3-yl)-1-[[4-(3-ethyl-1,2,4-oxadiazol-5-yl)cyclohexyl]amino]propan-2-ol?
The canonical SMILES for 2-(2,5-dimethylfuran-3-yl)-1-[[4-(3-ethyl-1,2,4-oxadiazol-5-yl)cyclohexyl]amino]propan-2-ol is CCc1noc(C2CCC(NCC(C)(O)c3cc(C)oc3C)CC2)n1.
What is the InChIKey of 2-(2,5-dimethylfuran-3-yl)-1-[[4-(3-ethyl-1,2,4-oxadiazol-5-yl)cyclohexyl]amino]propan-2-ol?
The InChIKey is ZBAKTLGBCYGIMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O3/c1-5-17-21-18(25-22-17)14-6-8-15(9-7-14)20-11-19(4,23)16-10-12(2)24-13(16)3/h10,14-15,20,23H,5-9,11H2,1-4H3.
What are the key properties of 2-(2,5-dimethylfuran-3-yl)-1-[[4-(3-ethyl-1,2,4-oxadiazol-5-yl)cyclohexyl]amino]propan-2-ol?
2-(2,5-dimethylfuran-3-yl)-1-[[4-(3-ethyl-1,2,4-oxadiazol-5-yl)cyclohexyl]amino]propan-2-ol has a molecular weight of 347.46 g/mol, XLogP of 3.37, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethylfuran-3-yl)-1-[[4-(3-ethyl-1,2,4-oxadiazol-5-yl)cyclohexyl]amino]propan-2-ol is sourced from PubChem (CID 110012312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).