N-[[(3S)-1-methylpyrrolidin-3-yl]methyl]-2-(quinolin-8-yloxymethyl)-1,3-oxazole-4-carboxamide

C20H22N4O3 — CID 95200568

IUPACN-[[(3S)-1-methylpyrrolidin-3-yl]methyl]-2-(quinolin-8-yloxymethyl)-1,3-oxazole-4-carboxamide
SMILESCN1CC[C@@H](CNC(=O)c2coc(COc3cccc4cccnc34)n2)C1
InChIInChI=1S/C20H22N4O3/c1-24-9-7-14(11-24)10-22-20(25)16-12-27-18(23-16)13-26-17-6-2-4-15-5-3-8-21-19(15)17/h2-6,8,12,14H,7,9-11,13H2,1H3,(H,22,25)/t14-/m0/s1
InChIKeyXENJKUMVPZBEAD-AWEZNQCLSA-N
MW366.42 g/mol
LogP2.48
Rot. Bonds6

About N-[[(3S)-1-methylpyrrolidin-3-yl]methyl]-2-(quinolin-8-yloxymethyl)-1,3-oxazole-4-carboxamide

N-[[(3S)-1-methylpyrrolidin-3-yl]methyl]-2-(quinolin-8-yloxymethyl)-1,3-oxazole-4-carboxamide (PubChem CID 95200568) has the molecular formula C20H22N4O3 and a molecular weight of 366.42 g/mol. Its IUPAC name is N-[[(3S)-1-methylpyrrolidin-3-yl]methyl]-2-(quinolin-8-yloxymethyl)-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[[(3S)-1-methylpyrrolidin-3-yl]methyl]-2-(quinolin-8-yloxymethyl)-1,3-oxazole-4-carboxamide
PubChem CID95200568
Molecular FormulaC20H22N4O3
Molecular Weight366.42 g/mol
Exact Mass366.17
IUPAC NameN-[[(3S)-1-methylpyrrolidin-3-yl]methyl]-2-(quinolin-8-yloxymethyl)-1,3-oxazole-4-carboxamide
SMILESCN1CC[C@@H](CNC(=O)c2coc(COc3cccc4cccnc34)n2)C1
InChIInChI=1S/C20H22N4O3/c1-24-9-7-14(11-24)10-22-20(25)16-12-27-18(23-16)13-26-17-6-2-4-15-5-3-8-21-19(15)17/h2-6,8,12,14H,7,9-11,13H2,1H3,(H,22,25)/t14-/m0/s1
InChIKeyXENJKUMVPZBEAD-AWEZNQCLSA-N
XLogP2.48
TPSA80.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.42
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(oxan-2-ylmethyl)-2-(quinolin-8-yloxymethyl)-1,3-oxazole-4-carboxamide
CID 45251660
methyl 3-[[2-(quinolin-8-yloxymethyl)-1,3-oxazole-4-carbonyl]amino]propanoate
CID 26406157
N-(pyridin-3-ylmethyl)-2-(quinolin-8-yloxymethyl)-1,3-oxazole-4-carboxamide
CID 42516268
N-[[(2R)-2-methyloxolan-2-yl]methyl]-2-(quinolin-8-yloxymethyl)-1,3-oxazole-4-carboxamide
CID 95200229
[(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
(3S)-1-[2-(quinolin-8-yloxymethyl)-1,3-oxazole-4-carbonyl]piperidine-3-carboxamide
CID 95552350
N-[(1S)-1-(1,3-dimethylpyrazol-4-yl)ethyl]-2-(quinolin-8-yloxymethyl)-1,3-oxazole-4-carboxamide
CID 42189711
N-[[(2S)-1,4-dioxan-2-yl]methyl]-N-methyl-2-(quinolin-8-yloxymethyl)-1,3-oxazole-4-carboxamide
CID 95209994
3-chloro-N-[(1-methylpyrrolidin-3-yl)methyl]pyridine-2-carboxamide
CID 134434405
2-[(3-methoxyphenoxy)methyl]-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]-1,3-oxazole-4-carboxamide
CID 56701984
N-[(1,3-dimethylpyrrolidin-3-yl)methyl]-2-(isoquinolin-5-yloxymethyl)-1,3-oxazole-4-carboxamide
CID 56705364
(3R)-N-ethyl-3-quinolin-8-yloxypyrrolidine-1-carboxamide
CID 124863649

Frequently Asked Questions

What is the IUPAC name of N-[[(3S)-1-methylpyrrolidin-3-yl]methyl]-2-(quinolin-8-yloxymethyl)-1,3-oxazole-4-carboxamide?
The IUPAC name of N-[[(3S)-1-methylpyrrolidin-3-yl]methyl]-2-(quinolin-8-yloxymethyl)-1,3-oxazole-4-carboxamide (CID 95200568) is N-[[(3S)-1-methylpyrrolidin-3-yl]methyl]-2-(quinolin-8-yloxymethyl)-1,3-oxazole-4-carboxamide.
What is the SMILES notation for N-[[(3S)-1-methylpyrrolidin-3-yl]methyl]-2-(quinolin-8-yloxymethyl)-1,3-oxazole-4-carboxamide?
The canonical SMILES for N-[[(3S)-1-methylpyrrolidin-3-yl]methyl]-2-(quinolin-8-yloxymethyl)-1,3-oxazole-4-carboxamide is CN1CC[C@@H](CNC(=O)c2coc(COc3cccc4cccnc34)n2)C1.
What is the InChIKey of N-[[(3S)-1-methylpyrrolidin-3-yl]methyl]-2-(quinolin-8-yloxymethyl)-1,3-oxazole-4-carboxamide?
The InChIKey is XENJKUMVPZBEAD-AWEZNQCLSA-N. The full InChI is InChI=1S/C20H22N4O3/c1-24-9-7-14(11-24)10-22-20(25)16-12-27-18(23-16)13-26-17-6-2-4-15-5-3-8-21-19(15)17/h2-6,8,12,14H,7,9-11,13H2,1H3,(H,22,25)/t14-/m0/s1.
What are the key properties of N-[[(3S)-1-methylpyrrolidin-3-yl]methyl]-2-(quinolin-8-yloxymethyl)-1,3-oxazole-4-carboxamide?
N-[[(3S)-1-methylpyrrolidin-3-yl]methyl]-2-(quinolin-8-yloxymethyl)-1,3-oxazole-4-carboxamide has a molecular weight of 366.42 g/mol, XLogP of 2.48, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3S)-1-methylpyrrolidin-3-yl]methyl]-2-(quinolin-8-yloxymethyl)-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 95200568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).