1,3-oxazol-5-yl-[4-(quinolin-3-ylmethyl)piperidin-1-yl]methanone

C19H19N3O2 — CID 118739871

IUPAC1,3-oxazol-5-yl-[4-(quinolin-3-ylmethyl)piperidin-1-yl]methanone
SMILESO=C(c1cnco1)N1CCC(Cc2cnc3ccccc3c2)CC1
InChIInChI=1S/C19H19N3O2/c23-19(18-12-20-13-24-18)22-7-5-14(6-8-22)9-15-10-16-3-1-2-4-17(16)21-11-15/h1-4,10-14H,5-9H2
InChIKeyUPBNFEHSHXHUDQ-UHFFFAOYSA-N
MW321.38 g/mol
LogP3.32
Rot. Bonds3

About 1,3-oxazol-5-yl-[4-(quinolin-3-ylmethyl)piperidin-1-yl]methanone

1,3-oxazol-5-yl-[4-(quinolin-3-ylmethyl)piperidin-1-yl]methanone (PubChem CID 118739871) has the molecular formula C19H19N3O2 and a molecular weight of 321.38 g/mol. Its IUPAC name is 1,3-oxazol-5-yl-[4-(quinolin-3-ylmethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name1,3-oxazol-5-yl-[4-(quinolin-3-ylmethyl)piperidin-1-yl]methanone
PubChem CID118739871
Molecular FormulaC19H19N3O2
Molecular Weight321.38 g/mol
Exact Mass321.15
IUPAC Name1,3-oxazol-5-yl-[4-(quinolin-3-ylmethyl)piperidin-1-yl]methanone
SMILESO=C(c1cnco1)N1CCC(Cc2cnc3ccccc3c2)CC1
InChIInChI=1S/C19H19N3O2/c23-19(18-12-20-13-24-18)22-7-5-14(6-8-22)9-15-10-16-3-1-2-4-17(16)21-11-15/h1-4,10-14H,5-9H2
InChIKeyUPBNFEHSHXHUDQ-UHFFFAOYSA-N
XLogP3.32
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-(quinolin-3-ylmethyl)piperidine-1-carboxylic acid
CID 24892821
(5-methyl-1,2-oxazol-3-yl)-[4-(quinolin-3-ylmethyl)piperidin-1-yl]methanone
CID 110090567
pyridazin-4-yl-[3-(quinolin-3-ylmethyl)pyrrolidin-1-yl]methanone
CID 110111706
1H-imidazol-5-yl-[3-(quinolin-3-ylmethyl)pyrrolidin-1-yl]methanone
CID 110111486
(1-methylimidazol-4-yl)-[4-(quinolin-3-ylmethyl)azepan-1-yl]methanone
CID 110098870
N-(4-methylphenyl)-4-(quinolin-3-ylmethyl)piperidine-1-carboxamide
CID 158349781
N-(4-chloro-1,2-oxazol-3-yl)-4-(quinolin-3-ylmethyl)piperidine-1-carboxamide
CID 46234787
(4-methyl-1,3-oxazol-5-yl)-[(3R)-3-(quinolin-3-ylmethyl)piperidin-1-yl]methanone
CID 124989323
pyrimidin-2-yl-[3-(quinolin-3-ylmethyl)piperidin-1-yl]methanone
CID 110111665
(2-methylpyrimidin-5-yl)-[(3R)-3-(quinolin-3-ylmethyl)piperidin-1-yl]methanone
CID 124961648
1-methyl-N-[2-[(4S)-4-(quinolin-3-ylmethyl)azepane-1-carbonyl]phenyl]pyrazole-3-carboxamide
CID 129455613
[4-[(2-fluorophenyl)methyl]oxan-4-yl]-[(4S)-4-(quinolin-3-ylmethyl)azepan-1-yl]methanone
CID 129455337

Frequently Asked Questions

What is the IUPAC name of 1,3-oxazol-5-yl-[4-(quinolin-3-ylmethyl)piperidin-1-yl]methanone?
The IUPAC name of 1,3-oxazol-5-yl-[4-(quinolin-3-ylmethyl)piperidin-1-yl]methanone (CID 118739871) is 1,3-oxazol-5-yl-[4-(quinolin-3-ylmethyl)piperidin-1-yl]methanone.
What is the SMILES notation for 1,3-oxazol-5-yl-[4-(quinolin-3-ylmethyl)piperidin-1-yl]methanone?
The canonical SMILES for 1,3-oxazol-5-yl-[4-(quinolin-3-ylmethyl)piperidin-1-yl]methanone is O=C(c1cnco1)N1CCC(Cc2cnc3ccccc3c2)CC1.
What is the InChIKey of 1,3-oxazol-5-yl-[4-(quinolin-3-ylmethyl)piperidin-1-yl]methanone?
The InChIKey is UPBNFEHSHXHUDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O2/c23-19(18-12-20-13-24-18)22-7-5-14(6-8-22)9-15-10-16-3-1-2-4-17(16)21-11-15/h1-4,10-14H,5-9H2.
What are the key properties of 1,3-oxazol-5-yl-[4-(quinolin-3-ylmethyl)piperidin-1-yl]methanone?
1,3-oxazol-5-yl-[4-(quinolin-3-ylmethyl)piperidin-1-yl]methanone has a molecular weight of 321.38 g/mol, XLogP of 3.32, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-oxazol-5-yl-[4-(quinolin-3-ylmethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 118739871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).