N-(furan-2-ylmethyl)-2-methyl-3-(3-thieno[2,3-d][1,2]oxazol-3-ylphenoxy)propan-1-amine;methanol

C21H24N2O4S — CID 142050450

IUPACN-(furan-2-ylmethyl)-2-methyl-3-(3-thieno[2,3-d][1,2]oxazol-3-ylphenoxy)propan-1-amine;methanol
SMILESCC(CNCc1ccco1)COc1cccc(-c2noc3ccsc23)c1.CO
InChIInChI=1S/C20H20N2O3S.CH4O/c1-14(11-21-12-17-6-3-8-23-17)13-24-16-5-2-4-15(10-16)19-20-18(25-22-19)7-9-26-20;1-2/h2-10,14,21H,11-13H2,1H3;2H,1H3
InChIKeyBYRKGVMOQZTKPH-UHFFFAOYSA-N
MW400.50 g/mol
LogP4.56
Rot. Bonds8

About N-(furan-2-ylmethyl)-2-methyl-3-(3-thieno[2,3-d][1,2]oxazol-3-ylphenoxy)propan-1-amine;methanol

N-(furan-2-ylmethyl)-2-methyl-3-(3-thieno[2,3-d][1,2]oxazol-3-ylphenoxy)propan-1-amine;methanol (PubChem CID 142050450) has the molecular formula C21H24N2O4S and a molecular weight of 400.50 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-2-methyl-3-(3-thieno[2,3-d][1,2]oxazol-3-ylphenoxy)propan-1-amine;methanol.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-2-methyl-3-(3-thieno[2,3-d][1,2]oxazol-3-ylphenoxy)propan-1-amine;methanol
PubChem CID142050450
Molecular FormulaC21H24N2O4S
Molecular Weight400.50 g/mol
Exact Mass400.15
IUPAC NameN-(furan-2-ylmethyl)-2-methyl-3-(3-thieno[2,3-d][1,2]oxazol-3-ylphenoxy)propan-1-amine;methanol
SMILESCC(CNCc1ccco1)COc1cccc(-c2noc3ccsc23)c1.CO
InChIInChI=1S/C20H20N2O3S.CH4O/c1-14(11-21-12-17-6-3-8-23-17)13-24-16-5-2-4-15(10-16)19-20-18(25-22-19)7-9-26-20;1-2/h2-10,14,21H,11-13H2,1H3;2H,1H3
InChIKeyBYRKGVMOQZTKPH-UHFFFAOYSA-N
XLogP4.56
TPSA80.66 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.50
LogP ≤ 54.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

(E)-2-[[(3,4-dichlorophenyl)methylamino]methyl]-3-(3-thieno[2,3-d][1,2]oxazol-3-ylphenoxy)prop-1-en-1-ol
CID 71024267
3-(2,6-dimethoxyphenoxy)-N-(furan-2-ylmethyl)-2-methylpropan-1-amine
CID 3695807
N-(furan-2-ylmethyl)-1-[3-(2-methylpropoxy)phenyl]methanamine
CID 39360428
(2S)-1-(4-chloro-3-methylphenoxy)-3-(furan-2-ylmethylamino)propan-2-ol
CID 41300610
4-[(2S)-1-(benzylamino)-2-methyl-3-(3-thieno[2,3-d][1,2]oxazol-3-ylphenoxy)propan-2-yl]oxy-4-oxobut-2-enoic acid
CID 91067709
N-iodo-3-(3-thieno[2,3-d][1,2]oxazol-3-ylphenoxy)-N-(thiophen-3-ylmethyl)propan-1-amine
CID 163896523
(2R)-1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-3-(3-thieno[2,3-d][1,2]oxazol-3-ylphenoxy)propan-2-ol
CID 58720284
3-[4-[(2R)-2-hydroxy-3-(3-thieno[2,3-d][1,2]oxazol-3-ylphenoxy)propyl]piperazin-1-yl]-1,2-benzoxazol-6-ol
CID 135456021
N-(furan-2-ylmethyl)-2-methylbutan-1-amine
CID 43200420
3-[3-(furan-2-ylmethylamino)-2-hydroxypropoxy]benzonitrile
CID 60901515
7-[3-(furan-2-ylmethylamino)-2-hydroxypropoxy]-4-methylchromen-2-one
CID 5045919
1-(furan-2-ylmethyl)-2-methyl-3-[[3-(2-methylpropoxy)phenyl]methyl]guanidine
CID 110934615

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-2-methyl-3-(3-thieno[2,3-d][1,2]oxazol-3-ylphenoxy)propan-1-amine;methanol?
The IUPAC name of N-(furan-2-ylmethyl)-2-methyl-3-(3-thieno[2,3-d][1,2]oxazol-3-ylphenoxy)propan-1-amine;methanol (CID 142050450) is N-(furan-2-ylmethyl)-2-methyl-3-(3-thieno[2,3-d][1,2]oxazol-3-ylphenoxy)propan-1-amine;methanol.
What is the SMILES notation for N-(furan-2-ylmethyl)-2-methyl-3-(3-thieno[2,3-d][1,2]oxazol-3-ylphenoxy)propan-1-amine;methanol?
The canonical SMILES for N-(furan-2-ylmethyl)-2-methyl-3-(3-thieno[2,3-d][1,2]oxazol-3-ylphenoxy)propan-1-amine;methanol is CC(CNCc1ccco1)COc1cccc(-c2noc3ccsc23)c1.CO.
What is the InChIKey of N-(furan-2-ylmethyl)-2-methyl-3-(3-thieno[2,3-d][1,2]oxazol-3-ylphenoxy)propan-1-amine;methanol?
The InChIKey is BYRKGVMOQZTKPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O3S.CH4O/c1-14(11-21-12-17-6-3-8-23-17)13-24-16-5-2-4-15(10-16)19-20-18(25-22-19)7-9-26-20;1-2/h2-10,14,21H,11-13H2,1H3;2H,1H3.
What are the key properties of N-(furan-2-ylmethyl)-2-methyl-3-(3-thieno[2,3-d][1,2]oxazol-3-ylphenoxy)propan-1-amine;methanol?
N-(furan-2-ylmethyl)-2-methyl-3-(3-thieno[2,3-d][1,2]oxazol-3-ylphenoxy)propan-1-amine;methanol has a molecular weight of 400.50 g/mol, XLogP of 4.56, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-2-methyl-3-(3-thieno[2,3-d][1,2]oxazol-3-ylphenoxy)propan-1-amine;methanol is sourced from PubChem (CID 142050450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).