1-[(2S)-2-[5-[(4-fluorophenyl)methyl]-1,3-oxazol-2-yl]pyrrolidin-1-yl]-2-quinazolin-4-yloxyethanone

C24H21FN4O3 — CID 124949467

IUPAC1-[(2S)-2-[5-[(4-fluorophenyl)methyl]-1,3-oxazol-2-yl]pyrrolidin-1-yl]-2-quinazolin-4-yloxyethanone
SMILESO=C(COc1ncnc2ccccc12)N1CCC[C@H]1c1ncc(Cc2ccc(F)cc2)o1
InChIInChI=1S/C24H21FN4O3/c25-17-9-7-16(8-10-17)12-18-13-26-24(32-18)21-6-3-11-29(21)22(30)14-31-23-19-4-1-2-5-20(19)27-15-28-23/h1-2,4-5,7-10,13,15,21H,3,6,11-12,14H2/t21-/m0/s1
InChIKeyCUIJUADUWZDFEK-NRFANRHFSA-N
MW432.46 g/mol
LogP4.09
Rot. Bonds6

About 1-[(2S)-2-[5-[(4-fluorophenyl)methyl]-1,3-oxazol-2-yl]pyrrolidin-1-yl]-2-quinazolin-4-yloxyethanone

1-[(2S)-2-[5-[(4-fluorophenyl)methyl]-1,3-oxazol-2-yl]pyrrolidin-1-yl]-2-quinazolin-4-yloxyethanone (PubChem CID 124949467) has the molecular formula C24H21FN4O3 and a molecular weight of 432.46 g/mol. Its IUPAC name is 1-[(2S)-2-[5-[(4-fluorophenyl)methyl]-1,3-oxazol-2-yl]pyrrolidin-1-yl]-2-quinazolin-4-yloxyethanone.

Molecular Properties

Compound Name1-[(2S)-2-[5-[(4-fluorophenyl)methyl]-1,3-oxazol-2-yl]pyrrolidin-1-yl]-2-quinazolin-4-yloxyethanone
PubChem CID124949467
Molecular FormulaC24H21FN4O3
Molecular Weight432.46 g/mol
Exact Mass432.16
IUPAC Name1-[(2S)-2-[5-[(4-fluorophenyl)methyl]-1,3-oxazol-2-yl]pyrrolidin-1-yl]-2-quinazolin-4-yloxyethanone
SMILESO=C(COc1ncnc2ccccc12)N1CCC[C@H]1c1ncc(Cc2ccc(F)cc2)o1
InChIInChI=1S/C24H21FN4O3/c25-17-9-7-16(8-10-17)12-18-13-26-24(32-18)21-6-3-11-29(21)22(30)14-31-23-19-4-1-2-5-20(19)27-15-28-23/h1-2,4-5,7-10,13,15,21H,3,6,11-12,14H2/t21-/m0/s1
InChIKeyCUIJUADUWZDFEK-NRFANRHFSA-N
XLogP4.09
TPSA81.35 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.46
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-[(2S)-2-[5-[(4-chlorophenyl)methyl]-1,3-oxazol-2-yl]pyrrolidin-1-yl]-2-quinazolin-4-yloxyethanone
CID 125010492
2-(2-fluorophenoxy)-1-[(2S)-2-[5-[(4-fluorophenyl)methyl]-1,3-oxazol-2-yl]pyrrolidin-1-yl]ethanone
CID 125006601
1-[2-[5-[(4-fluorophenyl)methyl]-1,3-oxazol-2-yl]pyrrolidin-1-yl]-2-(2-methylphenoxy)ethanone
CID 110121097
1-[(2S)-2-[5-[(3-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-2-quinazolin-4-yloxyethanone
CID 129454279
2-(3-fluorophenoxy)-1-[(2S)-2-[5-[(4-fluorophenyl)methyl]-1,3-oxazol-2-yl]pyrrolidin-1-yl]ethanone
CID 124967242
1-[(2R)-2-[5-[(4-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-2-(4-methoxyphenoxy)ethanone
CID 124961639
2-(azepan-1-yl)-1-[(2R)-2-[5-[(4-fluorophenyl)methyl]-1,3-oxazol-2-yl]pyrrolidin-1-yl]ethanone
CID 125023843
1-[3-[5-[(3-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-2-quinazolin-4-yloxyethanone
CID 110119612
[(2S)-2-[5-[(4-fluorophenyl)methyl]-1,3-oxazol-2-yl]pyrrolidin-1-yl]-(2-methoxyphenyl)methanone
CID 124951328
2-(2-fluorophenoxy)-1-[(2S)-2-[5-[(3-fluorophenyl)methyl]-1,3-oxazol-2-yl]pyrrolidin-1-yl]ethanone
CID 124958190
[(2S)-2-[5-[(4-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-(1H-indazol-3-yl)methanone
CID 124954588
1-[(2S)-2-(5-benzyl-1,3-oxazol-2-yl)piperidin-1-yl]-2-methoxyethanone
CID 124955389

Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-2-[5-[(4-fluorophenyl)methyl]-1,3-oxazol-2-yl]pyrrolidin-1-yl]-2-quinazolin-4-yloxyethanone?
The IUPAC name of 1-[(2S)-2-[5-[(4-fluorophenyl)methyl]-1,3-oxazol-2-yl]pyrrolidin-1-yl]-2-quinazolin-4-yloxyethanone (CID 124949467) is 1-[(2S)-2-[5-[(4-fluorophenyl)methyl]-1,3-oxazol-2-yl]pyrrolidin-1-yl]-2-quinazolin-4-yloxyethanone.
What is the SMILES notation for 1-[(2S)-2-[5-[(4-fluorophenyl)methyl]-1,3-oxazol-2-yl]pyrrolidin-1-yl]-2-quinazolin-4-yloxyethanone?
The canonical SMILES for 1-[(2S)-2-[5-[(4-fluorophenyl)methyl]-1,3-oxazol-2-yl]pyrrolidin-1-yl]-2-quinazolin-4-yloxyethanone is O=C(COc1ncnc2ccccc12)N1CCC[C@H]1c1ncc(Cc2ccc(F)cc2)o1.
What is the InChIKey of 1-[(2S)-2-[5-[(4-fluorophenyl)methyl]-1,3-oxazol-2-yl]pyrrolidin-1-yl]-2-quinazolin-4-yloxyethanone?
The InChIKey is CUIJUADUWZDFEK-NRFANRHFSA-N. The full InChI is InChI=1S/C24H21FN4O3/c25-17-9-7-16(8-10-17)12-18-13-26-24(32-18)21-6-3-11-29(21)22(30)14-31-23-19-4-1-2-5-20(19)27-15-28-23/h1-2,4-5,7-10,13,15,21H,3,6,11-12,14H2/t21-/m0/s1.
What are the key properties of 1-[(2S)-2-[5-[(4-fluorophenyl)methyl]-1,3-oxazol-2-yl]pyrrolidin-1-yl]-2-quinazolin-4-yloxyethanone?
1-[(2S)-2-[5-[(4-fluorophenyl)methyl]-1,3-oxazol-2-yl]pyrrolidin-1-yl]-2-quinazolin-4-yloxyethanone has a molecular weight of 432.46 g/mol, XLogP of 4.09, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-2-[5-[(4-fluorophenyl)methyl]-1,3-oxazol-2-yl]pyrrolidin-1-yl]-2-quinazolin-4-yloxyethanone is sourced from PubChem (CID 124949467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).