N,N-diethyl-2-[5-methoxy-2-(3-phenyl-1,2-oxazol-5-yl)phenoxy]ethanamine

C22H26N2O3 — CID 44537949

IUPACN,N-diethyl-2-[5-methoxy-2-(3-phenyl-1,2-oxazol-5-yl)phenoxy]ethanamine
SMILESCCN(CC)CCOc1cc(OC)ccc1-c1cc(-c2ccccc2)no1
InChIInChI=1S/C22H26N2O3/c1-4-24(5-2)13-14-26-21-15-18(25-3)11-12-19(21)22-16-20(23-27-22)17-9-7-6-8-10-17/h6-12,15-16H,4-5,13-14H2,1-3H3
InChIKeyMRIBFGUNSNBFDO-UHFFFAOYSA-N
MW366.46 g/mol
LogP4.74
Rot. Bonds9

About N,N-diethyl-2-[5-methoxy-2-(3-phenyl-1,2-oxazol-5-yl)phenoxy]ethanamine

N,N-diethyl-2-[5-methoxy-2-(3-phenyl-1,2-oxazol-5-yl)phenoxy]ethanamine (PubChem CID 44537949) has the molecular formula C22H26N2O3 and a molecular weight of 366.46 g/mol. Its IUPAC name is N,N-diethyl-2-[5-methoxy-2-(3-phenyl-1,2-oxazol-5-yl)phenoxy]ethanamine.

Molecular Properties

Compound NameN,N-diethyl-2-[5-methoxy-2-(3-phenyl-1,2-oxazol-5-yl)phenoxy]ethanamine
PubChem CID44537949
Molecular FormulaC22H26N2O3
Molecular Weight366.46 g/mol
Exact Mass366.19
IUPAC NameN,N-diethyl-2-[5-methoxy-2-(3-phenyl-1,2-oxazol-5-yl)phenoxy]ethanamine
SMILESCCN(CC)CCOc1cc(OC)ccc1-c1cc(-c2ccccc2)no1
InChIInChI=1S/C22H26N2O3/c1-4-24(5-2)13-14-26-21-15-18(25-3)11-12-19(21)22-16-20(23-27-22)17-9-7-6-8-10-17/h6-12,15-16H,4-5,13-14H2,1-3H3
InChIKeyMRIBFGUNSNBFDO-UHFFFAOYSA-N
XLogP4.74
TPSA47.73 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.46
LogP ≤ 54.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

Disoxaril
CID 55717
Abaperidone
CID 3037308
Win 56590
CID 3082640
Isoxazole, 5-(4-methoxyphenyl)-3-phenyl-
CID 279122
3-methyl-5-(7-(4-((4R)-4-methyl-4,5-dihydro-1,3-oxazol-2-yl)phenoxy)heptyl)-1,2-oxazole
CID 5272139
Isoxazole, 5-(7-(4-(4,5-dihydro-4-methyl-2-oxazolyl)phenoxy)heptyl)-3-methyl-
CID 1790
Compound III(S)
CID 441049
6-Methoxy-3-phenylbenzo[d]isoxazole
CID 3286009
Isoxazole, 5-(5-(4-(4,5-dihydro-2-oxazolyl)-2-methylphenoxy)pentyl)-3-methyl-
CID 5271219
Isoxazole, 5-(5-(4-(4,5-dihydro-2-oxazolyl)-2-ethylphenoxy)pentyl)-3-methyl-
CID 5271226
Isoxazole, 5-(5-(4-(4,5-dihydro-2-oxazolyl)-2-(2-propenyl)phenoxy)pentyl)-3-methyl-
CID 5271231
Ethanone, 1-(5-(4,5-dihydro-2-oxazolyl)-2-((5-(3-methyl-5-isoxazolyl)pentyl)oxy)phenyl)-
CID 5271232

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-[5-methoxy-2-(3-phenyl-1,2-oxazol-5-yl)phenoxy]ethanamine?
The IUPAC name of N,N-diethyl-2-[5-methoxy-2-(3-phenyl-1,2-oxazol-5-yl)phenoxy]ethanamine (CID 44537949) is N,N-diethyl-2-[5-methoxy-2-(3-phenyl-1,2-oxazol-5-yl)phenoxy]ethanamine.
What is the SMILES notation for N,N-diethyl-2-[5-methoxy-2-(3-phenyl-1,2-oxazol-5-yl)phenoxy]ethanamine?
The canonical SMILES for N,N-diethyl-2-[5-methoxy-2-(3-phenyl-1,2-oxazol-5-yl)phenoxy]ethanamine is CCN(CC)CCOc1cc(OC)ccc1-c1cc(-c2ccccc2)no1.
What is the InChIKey of N,N-diethyl-2-[5-methoxy-2-(3-phenyl-1,2-oxazol-5-yl)phenoxy]ethanamine?
The InChIKey is MRIBFGUNSNBFDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O3/c1-4-24(5-2)13-14-26-21-15-18(25-3)11-12-19(21)22-16-20(23-27-22)17-9-7-6-8-10-17/h6-12,15-16H,4-5,13-14H2,1-3H3.
What are the key properties of N,N-diethyl-2-[5-methoxy-2-(3-phenyl-1,2-oxazol-5-yl)phenoxy]ethanamine?
N,N-diethyl-2-[5-methoxy-2-(3-phenyl-1,2-oxazol-5-yl)phenoxy]ethanamine has a molecular weight of 366.46 g/mol, XLogP of 4.74, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-[5-methoxy-2-(3-phenyl-1,2-oxazol-5-yl)phenoxy]ethanamine is sourced from PubChem (CID 44537949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).