1,3-oxazol-5-yl-[4-(quinolin-6-ylmethyl)piperidin-1-yl]methanone

C19H19N3O2 — CID 118739874

IUPAC1,3-oxazol-5-yl-[4-(quinolin-6-ylmethyl)piperidin-1-yl]methanone
SMILESO=C(c1cnco1)N1CCC(Cc2ccc3ncccc3c2)CC1
InChIInChI=1S/C19H19N3O2/c23-19(18-12-20-13-24-18)22-8-5-14(6-9-22)10-15-3-4-17-16(11-15)2-1-7-21-17/h1-4,7,11-14H,5-6,8-10H2
InChIKeyPWCDMHIDUMKBKV-UHFFFAOYSA-N
MW321.38 g/mol
LogP3.32
Rot. Bonds3

About 1,3-oxazol-5-yl-[4-(quinolin-6-ylmethyl)piperidin-1-yl]methanone

1,3-oxazol-5-yl-[4-(quinolin-6-ylmethyl)piperidin-1-yl]methanone (PubChem CID 118739874) 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-6-ylmethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name1,3-oxazol-5-yl-[4-(quinolin-6-ylmethyl)piperidin-1-yl]methanone
PubChem CID118739874
Molecular FormulaC19H19N3O2
Molecular Weight321.38 g/mol
Exact Mass321.15
IUPAC Name1,3-oxazol-5-yl-[4-(quinolin-6-ylmethyl)piperidin-1-yl]methanone
SMILESO=C(c1cnco1)N1CCC(Cc2ccc3ncccc3c2)CC1
InChIInChI=1S/C19H19N3O2/c23-19(18-12-20-13-24-18)22-8-5-14(6-9-22)10-15-3-4-17-16(11-15)2-1-7-21-17/h1-4,7,11-14H,5-6,8-10H2
InChIKeyPWCDMHIDUMKBKV-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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Frequently Asked Questions

What is the IUPAC name of 1,3-oxazol-5-yl-[4-(quinolin-6-ylmethyl)piperidin-1-yl]methanone?
The IUPAC name of 1,3-oxazol-5-yl-[4-(quinolin-6-ylmethyl)piperidin-1-yl]methanone (CID 118739874) is 1,3-oxazol-5-yl-[4-(quinolin-6-ylmethyl)piperidin-1-yl]methanone.
What is the SMILES notation for 1,3-oxazol-5-yl-[4-(quinolin-6-ylmethyl)piperidin-1-yl]methanone?
The canonical SMILES for 1,3-oxazol-5-yl-[4-(quinolin-6-ylmethyl)piperidin-1-yl]methanone is O=C(c1cnco1)N1CCC(Cc2ccc3ncccc3c2)CC1.
What is the InChIKey of 1,3-oxazol-5-yl-[4-(quinolin-6-ylmethyl)piperidin-1-yl]methanone?
The InChIKey is PWCDMHIDUMKBKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O2/c23-19(18-12-20-13-24-18)22-8-5-14(6-9-22)10-15-3-4-17-16(11-15)2-1-7-21-17/h1-4,7,11-14H,5-6,8-10H2.
What are the key properties of 1,3-oxazol-5-yl-[4-(quinolin-6-ylmethyl)piperidin-1-yl]methanone?
1,3-oxazol-5-yl-[4-(quinolin-6-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-6-ylmethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 118739874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).