2-(4-methoxyphenyl)-2-[methyl-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]amino]ethanol

C16H23N3O3 — CID 111123352

IUPAC2-(4-methoxyphenyl)-2-[methyl-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]amino]ethanol
SMILESCCCc1noc(CN(C)C(CO)c2ccc(OC)cc2)n1
InChIInChI=1S/C16H23N3O3/c1-4-5-15-17-16(22-18-15)10-19(2)14(11-20)12-6-8-13(21-3)9-7-12/h6-9,14,20H,4-5,10-11H2,1-3H3
InChIKeyURAJJVBINVKDDP-UHFFFAOYSA-N
MW305.38 g/mol
LogP2.20
Rot. Bonds8

About 2-(4-methoxyphenyl)-2-[methyl-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]amino]ethanol

2-(4-methoxyphenyl)-2-[methyl-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]amino]ethanol (PubChem CID 111123352) has the molecular formula C16H23N3O3 and a molecular weight of 305.38 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-2-[methyl-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]amino]ethanol.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-2-[methyl-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]amino]ethanol
PubChem CID111123352
Molecular FormulaC16H23N3O3
Molecular Weight305.38 g/mol
Exact Mass305.17
IUPAC Name2-(4-methoxyphenyl)-2-[methyl-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]amino]ethanol
SMILESCCCc1noc(CN(C)C(CO)c2ccc(OC)cc2)n1
InChIInChI=1S/C16H23N3O3/c1-4-5-15-17-16(22-18-15)10-19(2)14(11-20)12-6-8-13(21-3)9-7-12/h6-9,14,20H,4-5,10-11H2,1-3H3
InChIKeyURAJJVBINVKDDP-UHFFFAOYSA-N
XLogP2.20
TPSA71.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(4-methoxyphenyl)-2-[methyl-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]amino]ethanol
CID 111122549
2-(4-methoxyphenyl)-2-[methyl-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]amino]ethanol
CID 111122603
2-(4-methoxyphenyl)-2-[methyl-[(2-methylphenyl)methyl]amino]ethanol
CID 111122596
(2R)-2-(4-methoxyphenyl)-2-[methyl(pyridin-3-ylmethyl)amino]ethanol
CID 96540909
1-[methyl-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]amino]propan-2-ol
CID 62332798
3-[[[2-hydroxy-1-(4-methoxyphenyl)ethyl]-methylamino]methyl]-1,4-dihydro-1,2,4-triazol-5-one
CID 136689792
2-[methyl-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]amino]propan-1-ol
CID 115773273
2-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl-methylamino]-2-(4-methoxyphenyl)ethanol
CID 111123359
4-[[[(1S)-2-hydroxy-1-(4-methoxyphenyl)ethyl]-methylamino]methyl]benzonitrile
CID 95625791
2-[(3-chloro-4-pyridinyl)methyl-methylamino]-2-(4-methoxyphenyl)ethanol
CID 71989008
2-methyl-2-[methyl-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]amino]propan-1-ol
CID 115640885
2-(4-methoxyphenyl)-2-[methyl(2-propan-2-yloxyethyl)amino]ethanol
CID 111122510

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-2-[methyl-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]amino]ethanol?
The IUPAC name of 2-(4-methoxyphenyl)-2-[methyl-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]amino]ethanol (CID 111123352) is 2-(4-methoxyphenyl)-2-[methyl-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]amino]ethanol.
What is the SMILES notation for 2-(4-methoxyphenyl)-2-[methyl-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]amino]ethanol?
The canonical SMILES for 2-(4-methoxyphenyl)-2-[methyl-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]amino]ethanol is CCCc1noc(CN(C)C(CO)c2ccc(OC)cc2)n1.
What is the InChIKey of 2-(4-methoxyphenyl)-2-[methyl-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]amino]ethanol?
The InChIKey is URAJJVBINVKDDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O3/c1-4-5-15-17-16(22-18-15)10-19(2)14(11-20)12-6-8-13(21-3)9-7-12/h6-9,14,20H,4-5,10-11H2,1-3H3.
What are the key properties of 2-(4-methoxyphenyl)-2-[methyl-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]amino]ethanol?
2-(4-methoxyphenyl)-2-[methyl-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]amino]ethanol has a molecular weight of 305.38 g/mol, XLogP of 2.20, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-2-[methyl-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]amino]ethanol is sourced from PubChem (CID 111123352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).