N-(oxan-2-ylmethyl)-2-(quinolin-8-yloxymethyl)-1,3-oxazole-4-carboxamide

C20H21N3O4 — CID 45251660

IUPACN-(oxan-2-ylmethyl)-2-(quinolin-8-yloxymethyl)-1,3-oxazole-4-carboxamide
SMILESO=C(NCC1CCCCO1)c1coc(COc2cccc3cccnc23)n1
InChIInChI=1S/C20H21N3O4/c24-20(22-11-15-7-1-2-10-25-15)16-12-27-18(23-16)13-26-17-8-3-5-14-6-4-9-21-19(14)17/h3-6,8-9,12,15H,1-2,7,10-11,13H2,(H,22,24)
InChIKeyUBRUGRLHQGRXDP-UHFFFAOYSA-N
MW367.41 g/mol
LogP3.10
Rot. Bonds6

About N-(oxan-2-ylmethyl)-2-(quinolin-8-yloxymethyl)-1,3-oxazole-4-carboxamide

N-(oxan-2-ylmethyl)-2-(quinolin-8-yloxymethyl)-1,3-oxazole-4-carboxamide (PubChem CID 45251660) has the molecular formula C20H21N3O4 and a molecular weight of 367.41 g/mol. Its IUPAC name is N-(oxan-2-ylmethyl)-2-(quinolin-8-yloxymethyl)-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-(oxan-2-ylmethyl)-2-(quinolin-8-yloxymethyl)-1,3-oxazole-4-carboxamide
PubChem CID45251660
Molecular FormulaC20H21N3O4
Molecular Weight367.41 g/mol
Exact Mass367.15
IUPAC NameN-(oxan-2-ylmethyl)-2-(quinolin-8-yloxymethyl)-1,3-oxazole-4-carboxamide
SMILESO=C(NCC1CCCCO1)c1coc(COc2cccc3cccnc23)n1
InChIInChI=1S/C20H21N3O4/c24-20(22-11-15-7-1-2-10-25-15)16-12-27-18(23-16)13-26-17-8-3-5-14-6-4-9-21-19(14)17/h3-6,8-9,12,15H,1-2,7,10-11,13H2,(H,22,24)
InChIKeyUBRUGRLHQGRXDP-UHFFFAOYSA-N
XLogP3.10
TPSA86.48 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.41
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(oxan-2-ylmethyl)-2-(quinolin-8-yloxymethyl)-1,3-oxazole-4-carboxamide?
The IUPAC name of N-(oxan-2-ylmethyl)-2-(quinolin-8-yloxymethyl)-1,3-oxazole-4-carboxamide (CID 45251660) is N-(oxan-2-ylmethyl)-2-(quinolin-8-yloxymethyl)-1,3-oxazole-4-carboxamide.
What is the SMILES notation for N-(oxan-2-ylmethyl)-2-(quinolin-8-yloxymethyl)-1,3-oxazole-4-carboxamide?
The canonical SMILES for N-(oxan-2-ylmethyl)-2-(quinolin-8-yloxymethyl)-1,3-oxazole-4-carboxamide is O=C(NCC1CCCCO1)c1coc(COc2cccc3cccnc23)n1.
What is the InChIKey of N-(oxan-2-ylmethyl)-2-(quinolin-8-yloxymethyl)-1,3-oxazole-4-carboxamide?
The InChIKey is UBRUGRLHQGRXDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O4/c24-20(22-11-15-7-1-2-10-25-15)16-12-27-18(23-16)13-26-17-8-3-5-14-6-4-9-21-19(14)17/h3-6,8-9,12,15H,1-2,7,10-11,13H2,(H,22,24).
What are the key properties of N-(oxan-2-ylmethyl)-2-(quinolin-8-yloxymethyl)-1,3-oxazole-4-carboxamide?
N-(oxan-2-ylmethyl)-2-(quinolin-8-yloxymethyl)-1,3-oxazole-4-carboxamide has a molecular weight of 367.41 g/mol, XLogP of 3.10, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxan-2-ylmethyl)-2-(quinolin-8-yloxymethyl)-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 45251660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).