(2-phenylazetidin-1-yl)-[2-(quinolin-6-yloxymethyl)-1,3-oxazol-4-yl]methanone

C23H19N3O3 — CID 56714015

IUPAC(2-phenylazetidin-1-yl)-[2-(quinolin-6-yloxymethyl)-1,3-oxazol-4-yl]methanone
SMILESO=C(c1coc(COc2ccc3ncccc3c2)n1)N1CCC1c1ccccc1
InChIInChI=1S/C23H19N3O3/c27-23(26-12-10-21(26)16-5-2-1-3-6-16)20-14-29-22(25-20)15-28-18-8-9-19-17(13-18)7-4-11-24-19/h1-9,11,13-14,21H,10,12,15H2
InChIKeyBCXHKSSVVREZHN-UHFFFAOYSA-N
MW385.42 g/mol
LogP4.39
Rot. Bonds5

About (2-phenylazetidin-1-yl)-[2-(quinolin-6-yloxymethyl)-1,3-oxazol-4-yl]methanone

(2-phenylazetidin-1-yl)-[2-(quinolin-6-yloxymethyl)-1,3-oxazol-4-yl]methanone (PubChem CID 56714015) has the molecular formula C23H19N3O3 and a molecular weight of 385.42 g/mol. Its IUPAC name is (2-phenylazetidin-1-yl)-[2-(quinolin-6-yloxymethyl)-1,3-oxazol-4-yl]methanone.

Molecular Properties

Compound Name(2-phenylazetidin-1-yl)-[2-(quinolin-6-yloxymethyl)-1,3-oxazol-4-yl]methanone
PubChem CID56714015
Molecular FormulaC23H19N3O3
Molecular Weight385.42 g/mol
Exact Mass385.14
IUPAC Name(2-phenylazetidin-1-yl)-[2-(quinolin-6-yloxymethyl)-1,3-oxazol-4-yl]methanone
SMILESO=C(c1coc(COc2ccc3ncccc3c2)n1)N1CCC1c1ccccc1
InChIInChI=1S/C23H19N3O3/c27-23(26-12-10-21(26)16-5-2-1-3-6-16)20-14-29-22(25-20)15-28-18-8-9-19-17(13-18)7-4-11-24-19/h1-9,11,13-14,21H,10,12,15H2
InChIKeyBCXHKSSVVREZHN-UHFFFAOYSA-N
XLogP4.39
TPSA68.46 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.42
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (2-phenylazetidin-1-yl)-[2-(quinolin-6-yloxymethyl)-1,3-oxazol-4-yl]methanone with MolForge

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Related Compounds

azocan-1-yl-[2-(quinolin-6-yloxymethyl)-1,3-oxazol-4-yl]methanone
CID 25282286
[2-(quinolin-6-yloxymethyl)-1,3-oxazol-4-yl]-thiomorpholin-4-ylmethanone
CID 42197710
[(1R,5S)-3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl]-[2-(quinolin-6-yloxymethyl)-1,3-oxazol-4-yl]methanone
CID 56722755
[2-[(2-methoxy-4-methylphenoxy)methyl]-1,3-oxazol-4-yl]-[(2S)-2-phenylazetidin-1-yl]methanone
CID 95214719
2-(naphthalen-2-yloxymethyl)-1,3-oxazole-4-carboxylic acid
CID 82305472
[2-(benzimidazol-1-ylmethyl)-1,3-oxazol-4-yl]-[(2R)-2-phenylazetidin-1-yl]methanone
CID 95225726
[2-[(3-fluorophenoxy)methyl]-1,3-oxazol-4-yl]-[(2R)-2-thiophen-2-ylazetidin-1-yl]methanone
CID 95189942
N-(1-pyridin-2-ylpropan-2-yl)-2-(quinolin-6-yloxymethyl)-1,3-oxazole-4-carboxamide
CID 45209690
[2-(1,3-benzodioxol-5-yloxymethyl)-1,3-oxazol-4-yl]-(3-phenylpiperidin-1-yl)methanone
CID 45204572
[2-(phenoxymethyl)-1,3-oxazol-4-yl]-[4-(pyridin-2-ylamino)piperidin-1-yl]methanone
CID 56710779
N-[(3-methoxyphenyl)methyl]-N-methyl-2-(quinolin-6-yloxymethyl)-1,3-oxazole-4-carboxamide
CID 42291343
phenyl-[(2R)-2-quinolin-6-ylpiperidin-1-yl]methanone
CID 124501089

Frequently Asked Questions

What is the IUPAC name of (2-phenylazetidin-1-yl)-[2-(quinolin-6-yloxymethyl)-1,3-oxazol-4-yl]methanone?
The IUPAC name of (2-phenylazetidin-1-yl)-[2-(quinolin-6-yloxymethyl)-1,3-oxazol-4-yl]methanone (CID 56714015) is (2-phenylazetidin-1-yl)-[2-(quinolin-6-yloxymethyl)-1,3-oxazol-4-yl]methanone.
What is the SMILES notation for (2-phenylazetidin-1-yl)-[2-(quinolin-6-yloxymethyl)-1,3-oxazol-4-yl]methanone?
The canonical SMILES for (2-phenylazetidin-1-yl)-[2-(quinolin-6-yloxymethyl)-1,3-oxazol-4-yl]methanone is O=C(c1coc(COc2ccc3ncccc3c2)n1)N1CCC1c1ccccc1.
What is the InChIKey of (2-phenylazetidin-1-yl)-[2-(quinolin-6-yloxymethyl)-1,3-oxazol-4-yl]methanone?
The InChIKey is BCXHKSSVVREZHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N3O3/c27-23(26-12-10-21(26)16-5-2-1-3-6-16)20-14-29-22(25-20)15-28-18-8-9-19-17(13-18)7-4-11-24-19/h1-9,11,13-14,21H,10,12,15H2.
What are the key properties of (2-phenylazetidin-1-yl)-[2-(quinolin-6-yloxymethyl)-1,3-oxazol-4-yl]methanone?
(2-phenylazetidin-1-yl)-[2-(quinolin-6-yloxymethyl)-1,3-oxazol-4-yl]methanone has a molecular weight of 385.42 g/mol, XLogP of 4.39, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-phenylazetidin-1-yl)-[2-(quinolin-6-yloxymethyl)-1,3-oxazol-4-yl]methanone is sourced from PubChem (CID 56714015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).