[2-ethoxy-5-[[ethyl-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]amino]methyl]phenyl]methanol

C19H29N3O3 — CID 46985013

IUPAC[2-ethoxy-5-[[ethyl-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]amino]methyl]phenyl]methanol
SMILESCCOc1ccc(CN(CC)Cc2noc(CC(C)C)n2)cc1CO
InChIInChI=1S/C19H29N3O3/c1-5-22(12-18-20-19(25-21-18)9-14(3)4)11-15-7-8-17(24-6-2)16(10-15)13-23/h7-8,10,14,23H,5-6,9,11-13H2,1-4H3
InChIKeyCXKNFNXOKDPHQX-UHFFFAOYSA-N
MW347.46 g/mol
LogP3.18
Rot. Bonds10

About [2-ethoxy-5-[[ethyl-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]amino]methyl]phenyl]methanol

[2-ethoxy-5-[[ethyl-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]amino]methyl]phenyl]methanol (PubChem CID 46985013) has the molecular formula C19H29N3O3 and a molecular weight of 347.46 g/mol. Its IUPAC name is [2-ethoxy-5-[[ethyl-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]amino]methyl]phenyl]methanol.

Molecular Properties

Compound Name[2-ethoxy-5-[[ethyl-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]amino]methyl]phenyl]methanol
PubChem CID46985013
Molecular FormulaC19H29N3O3
Molecular Weight347.46 g/mol
Exact Mass347.22
IUPAC Name[2-ethoxy-5-[[ethyl-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]amino]methyl]phenyl]methanol
SMILESCCOc1ccc(CN(CC)Cc2noc(CC(C)C)n2)cc1CO
InChIInChI=1S/C19H29N3O3/c1-5-22(12-18-20-19(25-21-18)9-14(3)4)11-15-7-8-17(24-6-2)16(10-15)13-23/h7-8,10,14,23H,5-6,9,11-13H2,1-4H3
InChIKeyCXKNFNXOKDPHQX-UHFFFAOYSA-N
XLogP3.18
TPSA71.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [2-ethoxy-5-[[ethyl-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]amino]methyl]phenyl]methanol with MolForge

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Related Compounds

4-[[ethyl-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]amino]methyl]-N-methylbenzenesulfonamide
CID 46988904
N-[(2,4-difluoro-3-methoxyphenyl)methyl]-N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]ethanamine
CID 50962079
N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]ethanamine
CID 46984703
N-(1H-indol-5-ylmethyl)-N-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]ethanamine
CID 119044837
methyl 6-[[ethyl-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]amino]methyl]pyridine-2-carboxylate
CID 46996051
N-[(4-butan-2-yloxy-3-methoxyphenyl)methyl]-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]ethanamine
CID 46990537
N-[(3,4-dimethoxyphenyl)methyl]-N-[[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]methyl]ethanamine
CID 134001018
N-(1H-indol-5-ylmethyl)-N-[[3-(3-methylbutyl)-1,2,4-oxadiazol-5-yl]methyl]ethanamine
CID 119044757
N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]-N-(piperidin-2-ylmethyl)ethanamine
CID 106632738
3-chloro-4-ethoxy-N-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]aniline
CID 154834758
[3-ethoxy-4-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]methanol
CID 61497410
[2-ethoxy-5-[[methyl-[[(2S)-oxan-2-yl]methyl]amino]methyl]phenyl]methanol
CID 99940029

Frequently Asked Questions

What is the IUPAC name of [2-ethoxy-5-[[ethyl-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]amino]methyl]phenyl]methanol?
The IUPAC name of [2-ethoxy-5-[[ethyl-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]amino]methyl]phenyl]methanol (CID 46985013) is [2-ethoxy-5-[[ethyl-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]amino]methyl]phenyl]methanol.
What is the SMILES notation for [2-ethoxy-5-[[ethyl-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]amino]methyl]phenyl]methanol?
The canonical SMILES for [2-ethoxy-5-[[ethyl-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]amino]methyl]phenyl]methanol is CCOc1ccc(CN(CC)Cc2noc(CC(C)C)n2)cc1CO.
What is the InChIKey of [2-ethoxy-5-[[ethyl-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]amino]methyl]phenyl]methanol?
The InChIKey is CXKNFNXOKDPHQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O3/c1-5-22(12-18-20-19(25-21-18)9-14(3)4)11-15-7-8-17(24-6-2)16(10-15)13-23/h7-8,10,14,23H,5-6,9,11-13H2,1-4H3.
What are the key properties of [2-ethoxy-5-[[ethyl-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]amino]methyl]phenyl]methanol?
[2-ethoxy-5-[[ethyl-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]amino]methyl]phenyl]methanol has a molecular weight of 347.46 g/mol, XLogP of 3.18, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-ethoxy-5-[[ethyl-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]amino]methyl]phenyl]methanol is sourced from PubChem (CID 46985013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).