1-(diethylamino)-3-[5-methoxy-2-(3-phenyl-1,2-oxazol-5-yl)phenoxy]propan-2-ol

C23H28N2O4 — CID 54582457

IUPAC1-(diethylamino)-3-[5-methoxy-2-(3-phenyl-1,2-oxazol-5-yl)phenoxy]propan-2-ol
SMILESCCN(CC)CC(O)COc1cc(OC)ccc1-c1cc(-c2ccccc2)no1
InChIInChI=1S/C23H28N2O4/c1-4-25(5-2)15-18(26)16-28-22-13-19(27-3)11-12-20(22)23-14-21(24-29-23)17-9-7-6-8-10-17/h6-14,18,26H,4-5,15-16H2,1-3H3
InChIKeyMVLHECKIGUCGIK-UHFFFAOYSA-N
MW396.49 g/mol
LogP4.10
Rot. Bonds10

About 1-(diethylamino)-3-[5-methoxy-2-(3-phenyl-1,2-oxazol-5-yl)phenoxy]propan-2-ol

1-(diethylamino)-3-[5-methoxy-2-(3-phenyl-1,2-oxazol-5-yl)phenoxy]propan-2-ol (PubChem CID 54582457) has the molecular formula C23H28N2O4 and a molecular weight of 396.49 g/mol. Its IUPAC name is 1-(diethylamino)-3-[5-methoxy-2-(3-phenyl-1,2-oxazol-5-yl)phenoxy]propan-2-ol.

Molecular Properties

Compound Name1-(diethylamino)-3-[5-methoxy-2-(3-phenyl-1,2-oxazol-5-yl)phenoxy]propan-2-ol
PubChem CID54582457
Molecular FormulaC23H28N2O4
Molecular Weight396.49 g/mol
Exact Mass396.20
IUPAC Name1-(diethylamino)-3-[5-methoxy-2-(3-phenyl-1,2-oxazol-5-yl)phenoxy]propan-2-ol
SMILESCCN(CC)CC(O)COc1cc(OC)ccc1-c1cc(-c2ccccc2)no1
InChIInChI=1S/C23H28N2O4/c1-4-25(5-2)15-18(26)16-28-22-13-19(27-3)11-12-20(22)23-14-21(24-29-23)17-9-7-6-8-10-17/h6-14,18,26H,4-5,15-16H2,1-3H3
InChIKeyMVLHECKIGUCGIK-UHFFFAOYSA-N
XLogP4.10
TPSA67.96 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.49
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

Abaperidone
CID 3037308
Ethanone, 1-(5-(4,5-dihydro-2-oxazolyl)-2-((5-(3-methyl-5-isoxazolyl)pentyl)oxy)phenyl)-
CID 5271232
5-Hydroxy-2-(4-methoxyphenyl)-7-(4-(4-(6-fluorobenzo[d]isoxazol-3-yl)piperidin-1-yl)propoxy)chroman-4-one (7g)
CID 126961577
2-[[3-[(3-methyl-1,2-benzoxazol-6-yl)oxy]propylamino]methyl]-3,4-dihydro-2H-chromen-7-ol;oxalic acid
CID 44355694
4-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-methyl-1,2-oxazol-5-yl]benzene-1,3-diol
CID 727517
6-Methoxy-3-(2-(1-(phenylmethyl)-4-piperidinyl)ethyl)-1,2-benzisoxazole
CID 9798502
7-{3-[4-(6-Fluoro-benzo[d]isoxazol-3-yl)-piperidin-1-yl]-propoxy}-3-methoxymethyl-chromen-4-one
CID 9804562
7-{3-[4-(6-Fluoro-benzo[d]isoxazol-3-yl)-piperidin-1-yl]-propoxy}-chromen-4-one
CID 9823559
7-[3-[4-(6-Fluorobenzo[d]isoxazole-3-yl)piperidin-1-yl]propoxy]-2-(hydroxymethyl)-chromen-4-one
CID 9826827
1-(4-{3-[4-(6-Fluoro-benzo[d]isoxazol-3-yl)-piperidin-1-yl]-propoxy}-2-methoxy-phenyl)-ethanone
CID 10432600
7-{3-[4-(6-Fluoro-benzo[d]isoxazol-3-yl)-piperidin-1-yl]-propoxy}-3-methyl-chromen-4-one
CID 10599046
Allyl-(6-[3-(4-bromo-phenyl)-benzo[d]isoxazol-6-yloxy]-hexyl)-methyl-amine
CID 11729939

Frequently Asked Questions

What is the IUPAC name of 1-(diethylamino)-3-[5-methoxy-2-(3-phenyl-1,2-oxazol-5-yl)phenoxy]propan-2-ol?
The IUPAC name of 1-(diethylamino)-3-[5-methoxy-2-(3-phenyl-1,2-oxazol-5-yl)phenoxy]propan-2-ol (CID 54582457) is 1-(diethylamino)-3-[5-methoxy-2-(3-phenyl-1,2-oxazol-5-yl)phenoxy]propan-2-ol.
What is the SMILES notation for 1-(diethylamino)-3-[5-methoxy-2-(3-phenyl-1,2-oxazol-5-yl)phenoxy]propan-2-ol?
The canonical SMILES for 1-(diethylamino)-3-[5-methoxy-2-(3-phenyl-1,2-oxazol-5-yl)phenoxy]propan-2-ol is CCN(CC)CC(O)COc1cc(OC)ccc1-c1cc(-c2ccccc2)no1.
What is the InChIKey of 1-(diethylamino)-3-[5-methoxy-2-(3-phenyl-1,2-oxazol-5-yl)phenoxy]propan-2-ol?
The InChIKey is MVLHECKIGUCGIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O4/c1-4-25(5-2)15-18(26)16-28-22-13-19(27-3)11-12-20(22)23-14-21(24-29-23)17-9-7-6-8-10-17/h6-14,18,26H,4-5,15-16H2,1-3H3.
What are the key properties of 1-(diethylamino)-3-[5-methoxy-2-(3-phenyl-1,2-oxazol-5-yl)phenoxy]propan-2-ol?
1-(diethylamino)-3-[5-methoxy-2-(3-phenyl-1,2-oxazol-5-yl)phenoxy]propan-2-ol has a molecular weight of 396.49 g/mol, XLogP of 4.10, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(diethylamino)-3-[5-methoxy-2-(3-phenyl-1,2-oxazol-5-yl)phenoxy]propan-2-ol is sourced from PubChem (CID 54582457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).