5-[[6,7-bis(2-methoxyethoxy)quinazolin-4-yl]oxymethyl]-3-(4-fluorophenyl)-1,2-oxazole

C24H24FN3O6 — CID 141435855

IUPAC5-[[6,7-bis(2-methoxyethoxy)quinazolin-4-yl]oxymethyl]-3-(4-fluorophenyl)-1,2-oxazole
SMILESCOCCOc1cc2ncnc(OCc3cc(-c4ccc(F)cc4)no3)c2cc1OCCOC
InChIInChI=1S/C24H24FN3O6/c1-29-7-9-31-22-12-19-21(13-23(22)32-10-8-30-2)26-15-27-24(19)33-14-18-11-20(28-34-18)16-3-5-17(25)6-4-16/h3-6,11-13,15H,7-10,14H2,1-2H3
InChIKeyODPPLSJZBVPNEE-UHFFFAOYSA-N
MW469.47 g/mol
LogP4.05
Rot. Bonds12

About 5-[[6,7-bis(2-methoxyethoxy)quinazolin-4-yl]oxymethyl]-3-(4-fluorophenyl)-1,2-oxazole

5-[[6,7-bis(2-methoxyethoxy)quinazolin-4-yl]oxymethyl]-3-(4-fluorophenyl)-1,2-oxazole (PubChem CID 141435855) has the molecular formula C24H24FN3O6 and a molecular weight of 469.47 g/mol. Its IUPAC name is 5-[[6,7-bis(2-methoxyethoxy)quinazolin-4-yl]oxymethyl]-3-(4-fluorophenyl)-1,2-oxazole.

Molecular Properties

Compound Name5-[[6,7-bis(2-methoxyethoxy)quinazolin-4-yl]oxymethyl]-3-(4-fluorophenyl)-1,2-oxazole
PubChem CID141435855
Molecular FormulaC24H24FN3O6
Molecular Weight469.47 g/mol
Exact Mass469.16
IUPAC Name5-[[6,7-bis(2-methoxyethoxy)quinazolin-4-yl]oxymethyl]-3-(4-fluorophenyl)-1,2-oxazole
SMILESCOCCOc1cc2ncnc(OCc3cc(-c4ccc(F)cc4)no3)c2cc1OCCOC
InChIInChI=1S/C24H24FN3O6/c1-29-7-9-31-22-12-19-21(13-23(22)32-10-8-30-2)26-15-27-24(19)33-14-18-11-20(28-34-18)16-3-5-17(25)6-4-16/h3-6,11-13,15H,7-10,14H2,1-2H3
InChIKeyODPPLSJZBVPNEE-UHFFFAOYSA-N
XLogP4.05
TPSA97.96 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds12
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.47
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-(4-fluorophenyl)-5-[(2-phenylquinazolin-4-yl)oxymethyl]-1,2-oxazole
CID 71761123
2-[4-[6,7-bis(2-methoxyethoxy)quinazolin-4-yl]oxy-3-fluorophenyl]acetic acid
CID 66907480
2-[(3-phenyl-1,2-oxazol-5-yl)methoxy]aniline
CID 61027686
N-[[3-(4-chlorophenyl)-1,2-oxazol-5-yl]methyl]-6,7-dimethoxyquinazolin-4-amine
CID 71761600
3-(4-bromophenyl)-5-[(6-tert-butylthieno[2,3-d]pyrimidin-4-yl)oxymethyl]-1,2-oxazole
CID 73442678
5-[(2-chloro-4-fluorophenoxy)methyl]-3-phenyl-1,2-oxazole
CID 134010105
6,7-bis(2-methoxyethoxy)-N,N-dimethylquinazolin-4-amine
CID 149497994
[3-(4-fluorophenyl)-1,2-oxazol-5-yl]methanol
CID 22064141
5-[4-[6,7-bis(2-methoxyethoxy)quinazolin-4-yl]oxy-3-fluoroanilino]-3-(4-fluorophenyl)-1H-1,6-naphthyridin-4-one
CID 71621792
5-[(2-iodophenoxy)methyl]-3-phenyl-1,2-oxazole
CID 60522936
5-[(2-chlorophenoxy)methyl]-3-(4-chlorophenyl)-1,2-oxazole
CID 146097170
6-(4-fluorophenyl)-4-(2-methoxyethoxy)pteridine
CID 24794957

Frequently Asked Questions

What is the IUPAC name of 5-[[6,7-bis(2-methoxyethoxy)quinazolin-4-yl]oxymethyl]-3-(4-fluorophenyl)-1,2-oxazole?
The IUPAC name of 5-[[6,7-bis(2-methoxyethoxy)quinazolin-4-yl]oxymethyl]-3-(4-fluorophenyl)-1,2-oxazole (CID 141435855) is 5-[[6,7-bis(2-methoxyethoxy)quinazolin-4-yl]oxymethyl]-3-(4-fluorophenyl)-1,2-oxazole.
What is the SMILES notation for 5-[[6,7-bis(2-methoxyethoxy)quinazolin-4-yl]oxymethyl]-3-(4-fluorophenyl)-1,2-oxazole?
The canonical SMILES for 5-[[6,7-bis(2-methoxyethoxy)quinazolin-4-yl]oxymethyl]-3-(4-fluorophenyl)-1,2-oxazole is COCCOc1cc2ncnc(OCc3cc(-c4ccc(F)cc4)no3)c2cc1OCCOC.
What is the InChIKey of 5-[[6,7-bis(2-methoxyethoxy)quinazolin-4-yl]oxymethyl]-3-(4-fluorophenyl)-1,2-oxazole?
The InChIKey is ODPPLSJZBVPNEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24FN3O6/c1-29-7-9-31-22-12-19-21(13-23(22)32-10-8-30-2)26-15-27-24(19)33-14-18-11-20(28-34-18)16-3-5-17(25)6-4-16/h3-6,11-13,15H,7-10,14H2,1-2H3.
What are the key properties of 5-[[6,7-bis(2-methoxyethoxy)quinazolin-4-yl]oxymethyl]-3-(4-fluorophenyl)-1,2-oxazole?
5-[[6,7-bis(2-methoxyethoxy)quinazolin-4-yl]oxymethyl]-3-(4-fluorophenyl)-1,2-oxazole has a molecular weight of 469.47 g/mol, XLogP of 4.05, 12 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[6,7-bis(2-methoxyethoxy)quinazolin-4-yl]oxymethyl]-3-(4-fluorophenyl)-1,2-oxazole is sourced from PubChem (CID 141435855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).