5-(dimethoxymethyl)-3-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]-2,5-dihydro-1,2-oxazole

C23H24N2O4 — CID 91042931

IUPAC5-(dimethoxymethyl)-3-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]-2,5-dihydro-1,2-oxazole
SMILESCOC(OC)C1C=C(c2ccc(OCc3cc(C)nc4ccccc34)cc2)NO1
InChIInChI=1S/C23H24N2O4/c1-15-12-17(19-6-4-5-7-20(19)24-15)14-28-18-10-8-16(9-11-18)21-13-22(29-25-21)23(26-2)27-3/h4-13,22-23,25H,14H2,1-3H3
InChIKeySRLNFXGAADNNPA-UHFFFAOYSA-N
MW392.46 g/mol
LogP3.99
Rot. Bonds7

About 5-(dimethoxymethyl)-3-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]-2,5-dihydro-1,2-oxazole

5-(dimethoxymethyl)-3-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]-2,5-dihydro-1,2-oxazole (PubChem CID 91042931) has the molecular formula C23H24N2O4 and a molecular weight of 392.46 g/mol. Its IUPAC name is 5-(dimethoxymethyl)-3-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]-2,5-dihydro-1,2-oxazole.

Molecular Properties

Compound Name5-(dimethoxymethyl)-3-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]-2,5-dihydro-1,2-oxazole
PubChem CID91042931
Molecular FormulaC23H24N2O4
Molecular Weight392.46 g/mol
Exact Mass392.17
IUPAC Name5-(dimethoxymethyl)-3-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]-2,5-dihydro-1,2-oxazole
SMILESCOC(OC)C1C=C(c2ccc(OCc3cc(C)nc4ccccc34)cc2)NO1
InChIInChI=1S/C23H24N2O4/c1-15-12-17(19-6-4-5-7-20(19)24-15)14-28-18-10-8-16(9-11-18)21-13-22(29-25-21)23(26-2)27-3/h4-13,22-23,25H,14H2,1-3H3
InChIKeySRLNFXGAADNNPA-UHFFFAOYSA-N
XLogP3.99
TPSA61.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

3-(furan-2-ylmethylamino)-N-hydroxy-3-[3-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]-2,5-dihydro-1,2-oxazol-5-yl]propanamide
CID 90787584
methyl 2-[3-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]-2,5-dihydro-1,2-oxazol-5-yl]cyclopentene-1-carboxylate
CID 90851484
[4-[(2-methylquinolin-4-yl)methoxy]phenyl]methanamine
CID 22148915
4-[(2-methylquinolin-4-yl)methoxy]benzoic acid
CID 22032775
5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]-2H-1,2-oxazole-5-carbaldehyde
CID 91350227
N-hydroxy-4-[3-(hydroxyamino)-3-oxopropyl]-3-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]-2,5-dihydro-1,2-oxazole-5-carboxamide
CID 91598469
4-[(2-methylquinolin-4-yl)methoxy]benzenesulfinic acid
CID 22032785
1-[5-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]-5-propan-2-yl-1,2-oxazolidin-3-yl]ethanone
CID 91155062
N-hydroxy-2-[3-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]-piperazin-2-ylmethyl]-2,5-dihydro-1,2-oxazol-5-yl]acetamide
CID 91040055
4-[[2-(chloromethyl)phenoxy]methyl]-2-methylquinoline
CID 79231433
4-[(2,4-dimethylphenoxy)methyl]-2-methylquinoline
CID 79232555
[4-[(2-methylquinolin-4-yl)methoxy]phenyl] pentanoate
CID 143099066

Frequently Asked Questions

What is the IUPAC name of 5-(dimethoxymethyl)-3-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]-2,5-dihydro-1,2-oxazole?
The IUPAC name of 5-(dimethoxymethyl)-3-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]-2,5-dihydro-1,2-oxazole (CID 91042931) is 5-(dimethoxymethyl)-3-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]-2,5-dihydro-1,2-oxazole.
What is the SMILES notation for 5-(dimethoxymethyl)-3-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]-2,5-dihydro-1,2-oxazole?
The canonical SMILES for 5-(dimethoxymethyl)-3-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]-2,5-dihydro-1,2-oxazole is COC(OC)C1C=C(c2ccc(OCc3cc(C)nc4ccccc34)cc2)NO1.
What is the InChIKey of 5-(dimethoxymethyl)-3-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]-2,5-dihydro-1,2-oxazole?
The InChIKey is SRLNFXGAADNNPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O4/c1-15-12-17(19-6-4-5-7-20(19)24-15)14-28-18-10-8-16(9-11-18)21-13-22(29-25-21)23(26-2)27-3/h4-13,22-23,25H,14H2,1-3H3.
What are the key properties of 5-(dimethoxymethyl)-3-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]-2,5-dihydro-1,2-oxazole?
5-(dimethoxymethyl)-3-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]-2,5-dihydro-1,2-oxazole has a molecular weight of 392.46 g/mol, XLogP of 3.99, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(dimethoxymethyl)-3-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]-2,5-dihydro-1,2-oxazole is sourced from PubChem (CID 91042931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).