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

C16H23N3O3 — CID 111122549

IUPAC2-(4-methoxyphenyl)-2-[methyl-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]amino]ethanol
SMILESCOc1ccc(C(CO)N(C)Cc2noc(C(C)C)n2)cc1
InChIInChI=1S/C16H23N3O3/c1-11(2)16-17-15(18-22-16)9-19(3)14(10-20)12-5-7-13(21-4)8-6-12/h5-8,11,14,20H,9-10H2,1-4H3
InChIKeyRKAHPOPDRFITSI-UHFFFAOYSA-N
MW305.38 g/mol
LogP2.37
Rot. Bonds7

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

2-(4-methoxyphenyl)-2-[methyl-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]amino]ethanol (PubChem CID 111122549) has the molecular formula C16H23N3O3 and a molecular weight of 305.38 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-2-[methyl-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]amino]ethanol.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-2-[methyl-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]amino]ethanol
PubChem CID111122549
Molecular FormulaC16H23N3O3
Molecular Weight305.38 g/mol
Exact Mass305.17
IUPAC Name2-(4-methoxyphenyl)-2-[methyl-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]amino]ethanol
SMILESCOc1ccc(C(CO)N(C)Cc2noc(C(C)C)n2)cc1
InChIInChI=1S/C16H23N3O3/c1-11(2)16-17-15(18-22-16)9-19(3)14(10-20)12-5-7-13(21-4)8-6-12/h5-8,11,14,20H,9-10H2,1-4H3
InChIKeyRKAHPOPDRFITSI-UHFFFAOYSA-N
XLogP2.37
TPSA71.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-(4-methoxyphenyl)-2-[methyl-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]amino]ethanol with MolForge

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Related Compounds

2-(4-methoxyphenyl)-2-[methyl-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]amino]ethanol
CID 111123352
(2R)-2-(4-methoxyphenyl)-2-[methyl(pyridin-3-ylmethyl)amino]ethanol
CID 96540909
2-(4-methoxyphenyl)-2-[methyl-[(2-methylphenyl)methyl]amino]ethanol
CID 111122596
2-[(3-chloro-4-pyridinyl)methyl-methylamino]-2-(4-methoxyphenyl)ethanol
CID 71989008
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-propan-2-yloxyethyl)amino]ethanol
CID 111122510
3-[[[2-hydroxy-1-(4-methoxyphenyl)ethyl]-methylamino]methyl]-1,4-dihydro-1,2,4-triazol-5-one
CID 136689792
5-propan-2-yl-3-[(4-propan-2-ylphenoxy)methyl]-1,2,4-oxadiazole
CID 63362147
(1R)-1-[4-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]ethanol
CID 78930415
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
N-[(2,5-dimethoxyphenyl)methyl]-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]cyclopropanamine
CID 47070103

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-2-[methyl-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]amino]ethanol?
The IUPAC name of 2-(4-methoxyphenyl)-2-[methyl-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]amino]ethanol (CID 111122549) is 2-(4-methoxyphenyl)-2-[methyl-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]amino]ethanol.
What is the SMILES notation for 2-(4-methoxyphenyl)-2-[methyl-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]amino]ethanol?
The canonical SMILES for 2-(4-methoxyphenyl)-2-[methyl-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]amino]ethanol is COc1ccc(C(CO)N(C)Cc2noc(C(C)C)n2)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-2-[methyl-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]amino]ethanol?
The InChIKey is RKAHPOPDRFITSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O3/c1-11(2)16-17-15(18-22-16)9-19(3)14(10-20)12-5-7-13(21-4)8-6-12/h5-8,11,14,20H,9-10H2,1-4H3.
What are the key properties of 2-(4-methoxyphenyl)-2-[methyl-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]amino]ethanol?
2-(4-methoxyphenyl)-2-[methyl-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]amino]ethanol has a molecular weight of 305.38 g/mol, XLogP of 2.37, 7 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-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]amino]ethanol is sourced from PubChem (CID 111122549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).