(3S)-1-[2-(quinolin-8-yloxymethyl)-1,3-oxazole-4-carbonyl]piperidine-3-carboxamide

C20H20N4O4 — CID 95552350

IUPAC(3S)-1-[2-(quinolin-8-yloxymethyl)-1,3-oxazole-4-carbonyl]piperidine-3-carboxamide
SMILESNC(=O)[C@H]1CCCN(C(=O)c2coc(COc3cccc4cccnc34)n2)C1
InChIInChI=1S/C20H20N4O4/c21-19(25)14-6-3-9-24(10-14)20(26)15-11-28-17(23-15)12-27-16-7-1-4-13-5-2-8-22-18(13)16/h1-2,4-5,7-8,11,14H,3,6,9-10,12H2,(H2,21,25)/t14-/m0/s1
InChIKeyIKULDIQUVYHSAM-AWEZNQCLSA-N
MW380.40 g/mol
LogP2.14
Rot. Bonds5

About (3S)-1-[2-(quinolin-8-yloxymethyl)-1,3-oxazole-4-carbonyl]piperidine-3-carboxamide

(3S)-1-[2-(quinolin-8-yloxymethyl)-1,3-oxazole-4-carbonyl]piperidine-3-carboxamide (PubChem CID 95552350) has the molecular formula C20H20N4O4 and a molecular weight of 380.40 g/mol. Its IUPAC name is (3S)-1-[2-(quinolin-8-yloxymethyl)-1,3-oxazole-4-carbonyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-[2-(quinolin-8-yloxymethyl)-1,3-oxazole-4-carbonyl]piperidine-3-carboxamide
PubChem CID95552350
Molecular FormulaC20H20N4O4
Molecular Weight380.40 g/mol
Exact Mass380.15
IUPAC Name(3S)-1-[2-(quinolin-8-yloxymethyl)-1,3-oxazole-4-carbonyl]piperidine-3-carboxamide
SMILESNC(=O)[C@H]1CCCN(C(=O)c2coc(COc3cccc4cccnc34)n2)C1
InChIInChI=1S/C20H20N4O4/c21-19(25)14-6-3-9-24(10-14)20(26)15-11-28-17(23-15)12-27-16-7-1-4-13-5-2-8-22-18(13)16/h1-2,4-5,7-8,11,14H,3,6,9-10,12H2,(H2,21,25)/t14-/m0/s1
InChIKeyIKULDIQUVYHSAM-AWEZNQCLSA-N
XLogP2.14
TPSA111.55 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.40
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[(8aR)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-[2-(quinolin-8-yloxymethyl)-1,3-oxazol-4-yl]methanone
CID 95394174
1-[2-[(3-fluorophenoxy)methyl]-1,3-oxazole-4-carbonyl]piperidine-3-carboxamide
CID 56707588
ethyl 1-[2-[(2-fluorophenoxy)methyl]-1,3-oxazole-4-carbonyl]piperidine-3-carboxylate
CID 45247251
N-[[(3S)-1-methylpyrrolidin-3-yl]methyl]-2-(quinolin-8-yloxymethyl)-1,3-oxazole-4-carboxamide
CID 95200568
[(9aS)-1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl]-[2-(isoquinolin-5-yloxymethyl)-1,3-oxazol-4-yl]methanone
CID 56709517
[2-[(2-fluorophenoxy)methyl]-1,3-oxazol-4-yl]-[(3R)-3-phenylpiperidin-1-yl]methanone
CID 42300285
azocan-1-yl-[2-(quinolin-6-yloxymethyl)-1,3-oxazol-4-yl]methanone
CID 25282286
N-(oxan-2-ylmethyl)-2-(quinolin-8-yloxymethyl)-1,3-oxazole-4-carboxamide
CID 45251660
[2-[(3-methoxyphenoxy)methyl]-1,3-oxazol-4-yl]-(3-methylpiperidin-1-yl)methanone
CID 45229409
N-[[(2S)-1,4-dioxan-2-yl]methyl]-N-methyl-2-(quinolin-8-yloxymethyl)-1,3-oxazole-4-carboxamide
CID 95209994
[2-[(3-fluorophenoxy)methyl]-1,3-oxazol-4-yl]-[(3S)-3-(2-hydroxypropan-2-yl)piperidin-1-yl]methanone
CID 95214399
[2-[(5-chloroquinolin-8-yl)oxymethyl]-1,3-oxazol-4-yl]-[(3R,4R)-3-fluoro-4-hydroxypyrrolidin-1-yl]methanone
CID 176989674

Frequently Asked Questions

What is the IUPAC name of (3S)-1-[2-(quinolin-8-yloxymethyl)-1,3-oxazole-4-carbonyl]piperidine-3-carboxamide?
The IUPAC name of (3S)-1-[2-(quinolin-8-yloxymethyl)-1,3-oxazole-4-carbonyl]piperidine-3-carboxamide (CID 95552350) is (3S)-1-[2-(quinolin-8-yloxymethyl)-1,3-oxazole-4-carbonyl]piperidine-3-carboxamide.
What is the SMILES notation for (3S)-1-[2-(quinolin-8-yloxymethyl)-1,3-oxazole-4-carbonyl]piperidine-3-carboxamide?
The canonical SMILES for (3S)-1-[2-(quinolin-8-yloxymethyl)-1,3-oxazole-4-carbonyl]piperidine-3-carboxamide is NC(=O)[C@H]1CCCN(C(=O)c2coc(COc3cccc4cccnc34)n2)C1.
What is the InChIKey of (3S)-1-[2-(quinolin-8-yloxymethyl)-1,3-oxazole-4-carbonyl]piperidine-3-carboxamide?
The InChIKey is IKULDIQUVYHSAM-AWEZNQCLSA-N. The full InChI is InChI=1S/C20H20N4O4/c21-19(25)14-6-3-9-24(10-14)20(26)15-11-28-17(23-15)12-27-16-7-1-4-13-5-2-8-22-18(13)16/h1-2,4-5,7-8,11,14H,3,6,9-10,12H2,(H2,21,25)/t14-/m0/s1.
What are the key properties of (3S)-1-[2-(quinolin-8-yloxymethyl)-1,3-oxazole-4-carbonyl]piperidine-3-carboxamide?
(3S)-1-[2-(quinolin-8-yloxymethyl)-1,3-oxazole-4-carbonyl]piperidine-3-carboxamide has a molecular weight of 380.40 g/mol, XLogP of 2.14, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-[2-(quinolin-8-yloxymethyl)-1,3-oxazole-4-carbonyl]piperidine-3-carboxamide is sourced from PubChem (CID 95552350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).