[3-(1-hydroxyethyl)-5-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]-4H-1,2-oxazol-5-yl]methyl acetate

C25H26N2O5 — CID 69288385

IUPAC[3-(1-hydroxyethyl)-5-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]-4H-1,2-oxazol-5-yl]methyl acetate
SMILESCC(=O)OCC1(c2ccc(OCc3cc(C)nc4ccccc34)cc2)CC(C(C)O)=NO1
InChIInChI=1S/C25H26N2O5/c1-16-12-19(22-6-4-5-7-23(22)26-16)14-30-21-10-8-20(9-11-21)25(15-31-18(3)29)13-24(17(2)28)27-32-25/h4-12,17,28H,13-15H2,1-3H3
InChIKeyVXENBXMSPIODHF-UHFFFAOYSA-N
MW434.49 g/mol
LogP4.04
Rot. Bonds7

About [3-(1-hydroxyethyl)-5-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]-4H-1,2-oxazol-5-yl]methyl acetate

[3-(1-hydroxyethyl)-5-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]-4H-1,2-oxazol-5-yl]methyl acetate (PubChem CID 69288385) has the molecular formula C25H26N2O5 and a molecular weight of 434.49 g/mol. Its IUPAC name is [3-(1-hydroxyethyl)-5-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]-4H-1,2-oxazol-5-yl]methyl acetate.

Molecular Properties

Compound Name[3-(1-hydroxyethyl)-5-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]-4H-1,2-oxazol-5-yl]methyl acetate
PubChem CID69288385
Molecular FormulaC25H26N2O5
Molecular Weight434.49 g/mol
Exact Mass434.18
IUPAC Name[3-(1-hydroxyethyl)-5-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]-4H-1,2-oxazol-5-yl]methyl acetate
SMILESCC(=O)OCC1(c2ccc(OCc3cc(C)nc4ccccc34)cc2)CC(C(C)O)=NO1
InChIInChI=1S/C25H26N2O5/c1-16-12-19(22-6-4-5-7-23(22)26-16)14-30-21-10-8-20(9-11-21)25(15-31-18(3)29)13-24(17(2)28)27-32-25/h4-12,17,28H,13-15H2,1-3H3
InChIKeyVXENBXMSPIODHF-UHFFFAOYSA-N
XLogP4.04
TPSA90.24 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.49
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze [3-(1-hydroxyethyl)-5-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]-4H-1,2-oxazol-5-yl]methyl acetate with MolForge

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Related Compounds

1-[5-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]-5-propan-2-yl-1,2-oxazolidin-3-yl]ethanone
CID 91155062
N-hydroxy-3-[5-methyl-3-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]-4H-1,2-oxazol-5-yl]propanamide
CID 10070702
4-[(2-methylquinolin-4-yl)methoxy]benzoic acid
CID 22032775
1-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]methyl]cyclopropane-1-carboxamide
CID 67562723
tert-butyl N-[[3-[(4-methyl-2,5-dioxoimidazolidin-4-yl)methyl]-5-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]-4H-1,2-oxazol-5-yl]methyl]carbamate
CID 11285484
[4-[(2-methylquinolin-4-yl)methoxy]phenyl]methanamine
CID 22148915
4-[(2-methylquinolin-4-yl)methoxy]benzenesulfinic acid
CID 22032785
1-(1,4-dioxaspiro[4.5]decan-8-ylidene)-3-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfonylpropan-2-ol
CID 68825781
[1,1-dihydroxy-2-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]-4-propan-2-yl-1,4-thiazinan-2-yl] butanoate
CID 91254308
[4-[(2-methylquinolin-4-yl)methoxy]phenyl] pentanoate
CID 143099066
(1S,2Z)-2-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]methylidene]cyclopropane-1-carboxamide
CID 163750186
5-(2-tert-butylsilyloxypropan-2-yl)-3-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]-4H-1,2-oxazole-5-carbaldehyde
CID 131725997

Frequently Asked Questions

What is the IUPAC name of [3-(1-hydroxyethyl)-5-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]-4H-1,2-oxazol-5-yl]methyl acetate?
The IUPAC name of [3-(1-hydroxyethyl)-5-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]-4H-1,2-oxazol-5-yl]methyl acetate (CID 69288385) is [3-(1-hydroxyethyl)-5-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]-4H-1,2-oxazol-5-yl]methyl acetate.
What is the SMILES notation for [3-(1-hydroxyethyl)-5-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]-4H-1,2-oxazol-5-yl]methyl acetate?
The canonical SMILES for [3-(1-hydroxyethyl)-5-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]-4H-1,2-oxazol-5-yl]methyl acetate is CC(=O)OCC1(c2ccc(OCc3cc(C)nc4ccccc34)cc2)CC(C(C)O)=NO1.
What is the InChIKey of [3-(1-hydroxyethyl)-5-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]-4H-1,2-oxazol-5-yl]methyl acetate?
The InChIKey is VXENBXMSPIODHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N2O5/c1-16-12-19(22-6-4-5-7-23(22)26-16)14-30-21-10-8-20(9-11-21)25(15-31-18(3)29)13-24(17(2)28)27-32-25/h4-12,17,28H,13-15H2,1-3H3.
What are the key properties of [3-(1-hydroxyethyl)-5-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]-4H-1,2-oxazol-5-yl]methyl acetate?
[3-(1-hydroxyethyl)-5-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]-4H-1,2-oxazol-5-yl]methyl acetate has a molecular weight of 434.49 g/mol, XLogP of 4.04, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(1-hydroxyethyl)-5-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]-4H-1,2-oxazol-5-yl]methyl acetate is sourced from PubChem (CID 69288385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).