2-[benzyl-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]amino]-3-methylbutan-1-ol

C19H23N3O3 — CID 111462171

IUPAC2-[benzyl-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]amino]-3-methylbutan-1-ol
SMILESCC(C)C(CO)N(Cc1ccccc1)Cc1nc(-c2ccco2)no1
InChIInChI=1S/C19H23N3O3/c1-14(2)16(13-23)22(11-15-7-4-3-5-8-15)12-18-20-19(21-25-18)17-9-6-10-24-17/h3-10,14,16,23H,11-13H2,1-2H3
InChIKeyWSMYSQAFTLAHRM-UHFFFAOYSA-N
MW341.41 g/mol
LogP3.35
Rot. Bonds8

About 2-[benzyl-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]amino]-3-methylbutan-1-ol

2-[benzyl-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]amino]-3-methylbutan-1-ol (PubChem CID 111462171) has the molecular formula C19H23N3O3 and a molecular weight of 341.41 g/mol. Its IUPAC name is 2-[benzyl-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]amino]-3-methylbutan-1-ol.

Molecular Properties

Compound Name2-[benzyl-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]amino]-3-methylbutan-1-ol
PubChem CID111462171
Molecular FormulaC19H23N3O3
Molecular Weight341.41 g/mol
Exact Mass341.17
IUPAC Name2-[benzyl-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]amino]-3-methylbutan-1-ol
SMILESCC(C)C(CO)N(Cc1ccccc1)Cc1nc(-c2ccco2)no1
InChIInChI=1S/C19H23N3O3/c1-14(2)16(13-23)22(11-15-7-4-3-5-8-15)12-18-20-19(21-25-18)17-9-6-10-24-17/h3-10,14,16,23H,11-13H2,1-2H3
InChIKeyWSMYSQAFTLAHRM-UHFFFAOYSA-N
XLogP3.35
TPSA75.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[benzyl-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]amino]-3-methylbutan-1-ol with MolForge

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Related Compounds

2-[benzyl-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]amino]-3-methylbutan-1-ol
CID 111432014
3-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl-propan-2-ylamino]propanoic acid
CID 60833607
1-[N-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]anilino]propan-2-ol
CID 51106357
2-[benzyl-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]amino]-3-methylbutan-1-ol
CID 111462156
[2-[benzyl(propan-2-yl)amino]-2-oxoethyl] 3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]propanoate
CID 55553176
(2S)-2-[(4-methoxyphenyl)methyl-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]amino]-3-methylbutan-1-ol
CID 110010046
N-benzyl-N-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]prop-2-en-1-amine
CID 134043607
N-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-N-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]propan-2-amine
CID 95131588
methyl 3-[benzyl-[3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]propanoyl]amino]propanoate
CID 55554526
3-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl-(2-hydroxyethyl)amino]propan-1-ol
CID 111112532
2-[2,2-difluoroethyl-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]amino]ethanol
CID 107485412
2-[ethyl-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]amino]-2-methylpropanoic acid
CID 62822562

Frequently Asked Questions

What is the IUPAC name of 2-[benzyl-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]amino]-3-methylbutan-1-ol?
The IUPAC name of 2-[benzyl-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]amino]-3-methylbutan-1-ol (CID 111462171) is 2-[benzyl-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]amino]-3-methylbutan-1-ol.
What is the SMILES notation for 2-[benzyl-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]amino]-3-methylbutan-1-ol?
The canonical SMILES for 2-[benzyl-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]amino]-3-methylbutan-1-ol is CC(C)C(CO)N(Cc1ccccc1)Cc1nc(-c2ccco2)no1.
What is the InChIKey of 2-[benzyl-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]amino]-3-methylbutan-1-ol?
The InChIKey is WSMYSQAFTLAHRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O3/c1-14(2)16(13-23)22(11-15-7-4-3-5-8-15)12-18-20-19(21-25-18)17-9-6-10-24-17/h3-10,14,16,23H,11-13H2,1-2H3.
What are the key properties of 2-[benzyl-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]amino]-3-methylbutan-1-ol?
2-[benzyl-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]amino]-3-methylbutan-1-ol has a molecular weight of 341.41 g/mol, XLogP of 3.35, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzyl-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]amino]-3-methylbutan-1-ol is sourced from PubChem (CID 111462171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).