[3-(2-methylpropyl)pyrrolidin-1-yl]-[5-(quinolin-6-yloxymethyl)-1,2-oxazol-3-yl]methanone

C22H25N3O3 — CID 56757571

IUPAC[3-(2-methylpropyl)pyrrolidin-1-yl]-[5-(quinolin-6-yloxymethyl)-1,2-oxazol-3-yl]methanone
SMILESCC(C)CC1CCN(C(=O)c2cc(COc3ccc4ncccc4c3)on2)C1
InChIInChI=1S/C22H25N3O3/c1-15(2)10-16-7-9-25(13-16)22(26)21-12-19(28-24-21)14-27-18-5-6-20-17(11-18)4-3-8-23-20/h3-6,8,11-12,15-16H,7,9-10,13-14H2,1-2H3
InChIKeyWXEMSUAGDRHNAC-UHFFFAOYSA-N
MW379.46 g/mol
LogP4.31
Rot. Bonds6

About [3-(2-methylpropyl)pyrrolidin-1-yl]-[5-(quinolin-6-yloxymethyl)-1,2-oxazol-3-yl]methanone

[3-(2-methylpropyl)pyrrolidin-1-yl]-[5-(quinolin-6-yloxymethyl)-1,2-oxazol-3-yl]methanone (PubChem CID 56757571) has the molecular formula C22H25N3O3 and a molecular weight of 379.46 g/mol. Its IUPAC name is [3-(2-methylpropyl)pyrrolidin-1-yl]-[5-(quinolin-6-yloxymethyl)-1,2-oxazol-3-yl]methanone.

Molecular Properties

Compound Name[3-(2-methylpropyl)pyrrolidin-1-yl]-[5-(quinolin-6-yloxymethyl)-1,2-oxazol-3-yl]methanone
PubChem CID56757571
Molecular FormulaC22H25N3O3
Molecular Weight379.46 g/mol
Exact Mass379.19
IUPAC Name[3-(2-methylpropyl)pyrrolidin-1-yl]-[5-(quinolin-6-yloxymethyl)-1,2-oxazol-3-yl]methanone
SMILESCC(C)CC1CCN(C(=O)c2cc(COc3ccc4ncccc4c3)on2)C1
InChIInChI=1S/C22H25N3O3/c1-15(2)10-16-7-9-25(13-16)22(26)21-12-19(28-24-21)14-27-18-5-6-20-17(11-18)4-3-8-23-20/h3-6,8,11-12,15-16H,7,9-10,13-14H2,1-2H3
InChIKeyWXEMSUAGDRHNAC-UHFFFAOYSA-N
XLogP4.31
TPSA68.46 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.46
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [3-(2-methylpropyl)pyrrolidin-1-yl]-[5-(quinolin-6-yloxymethyl)-1,2-oxazol-3-yl]methanone with MolForge

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Related Compounds

(3-methylpiperidin-1-yl)-[5-[(6-methyl-3-pyridinyl)oxymethyl]-1,2-oxazol-3-yl]methanone
CID 45185350
N-[(2R)-1-methoxypropan-2-yl]-5-(quinolin-6-yloxymethyl)-1,2-oxazole-3-carboxamide
CID 42460246
N-(4-pyrazol-1-ylbutan-2-yl)-5-(quinolin-6-yloxymethyl)-1,2-oxazole-3-carboxamide
CID 45252294
3-methyl-5-(quinolin-6-yloxymethyl)-1,2-oxazole
CID 56820803
N-methyl-N-propyl-5-(quinolin-6-yloxymethyl)-1,2-oxazole-3-carboxamide
CID 56744732
1-(4-methylpiperidin-1-yl)-2-quinolin-6-yloxyethanone
CID 112978586
[4-(hydroxymethyl)piperidin-1-yl]-[5-[(3-methoxyphenoxy)methyl]-1,2-oxazol-3-yl]methanone
CID 42361769
N-(1-pyridin-4-ylpropyl)-5-(quinolin-6-yloxymethyl)-1,2-oxazole-3-carboxamide
CID 45252047
[3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-[3-(quinolin-6-ylmethyl)piperidin-1-yl]methanone
CID 132767463
N-[(2S)-1-pyridin-3-ylpropan-2-yl]-5-(quinolin-6-yloxymethyl)-1,2-oxazole-3-carboxamide
CID 42593563
[(3S)-3-(methoxymethyl)piperidin-1-yl]-[5-[(3-methoxyphenoxy)methyl]-1,2-oxazol-3-yl]methanone
CID 42120570
N-[(5-methylpyrazin-2-yl)methyl]-5-(quinolin-6-yloxymethyl)-1,2-oxazole-3-carboxamide
CID 74229782

Frequently Asked Questions

What is the IUPAC name of [3-(2-methylpropyl)pyrrolidin-1-yl]-[5-(quinolin-6-yloxymethyl)-1,2-oxazol-3-yl]methanone?
The IUPAC name of [3-(2-methylpropyl)pyrrolidin-1-yl]-[5-(quinolin-6-yloxymethyl)-1,2-oxazol-3-yl]methanone (CID 56757571) is [3-(2-methylpropyl)pyrrolidin-1-yl]-[5-(quinolin-6-yloxymethyl)-1,2-oxazol-3-yl]methanone.
What is the SMILES notation for [3-(2-methylpropyl)pyrrolidin-1-yl]-[5-(quinolin-6-yloxymethyl)-1,2-oxazol-3-yl]methanone?
The canonical SMILES for [3-(2-methylpropyl)pyrrolidin-1-yl]-[5-(quinolin-6-yloxymethyl)-1,2-oxazol-3-yl]methanone is CC(C)CC1CCN(C(=O)c2cc(COc3ccc4ncccc4c3)on2)C1.
What is the InChIKey of [3-(2-methylpropyl)pyrrolidin-1-yl]-[5-(quinolin-6-yloxymethyl)-1,2-oxazol-3-yl]methanone?
The InChIKey is WXEMSUAGDRHNAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O3/c1-15(2)10-16-7-9-25(13-16)22(26)21-12-19(28-24-21)14-27-18-5-6-20-17(11-18)4-3-8-23-20/h3-6,8,11-12,15-16H,7,9-10,13-14H2,1-2H3.
What are the key properties of [3-(2-methylpropyl)pyrrolidin-1-yl]-[5-(quinolin-6-yloxymethyl)-1,2-oxazol-3-yl]methanone?
[3-(2-methylpropyl)pyrrolidin-1-yl]-[5-(quinolin-6-yloxymethyl)-1,2-oxazol-3-yl]methanone has a molecular weight of 379.46 g/mol, XLogP of 4.31, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2-methylpropyl)pyrrolidin-1-yl]-[5-(quinolin-6-yloxymethyl)-1,2-oxazol-3-yl]methanone is sourced from PubChem (CID 56757571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).