N-methyl-N-[2-(oxan-4-yl)ethyl]-2-(phenoxymethyl)-1,3-oxazole-4-carboxamide

C19H24N2O4 — CID 25448457

IUPACN-methyl-N-[2-(oxan-4-yl)ethyl]-2-(phenoxymethyl)-1,3-oxazole-4-carboxamide
SMILESCN(CCC1CCOCC1)C(=O)c1coc(COc2ccccc2)n1
InChIInChI=1S/C19H24N2O4/c1-21(10-7-15-8-11-23-12-9-15)19(22)17-13-25-18(20-17)14-24-16-5-3-2-4-6-16/h2-6,13,15H,7-12,14H2,1H3
InChIKeyBKRNXEQQBWKYQH-UHFFFAOYSA-N
MW344.41 g/mol
LogP3.14
Rot. Bonds7

About N-methyl-N-[2-(oxan-4-yl)ethyl]-2-(phenoxymethyl)-1,3-oxazole-4-carboxamide

N-methyl-N-[2-(oxan-4-yl)ethyl]-2-(phenoxymethyl)-1,3-oxazole-4-carboxamide (PubChem CID 25448457) has the molecular formula C19H24N2O4 and a molecular weight of 344.41 g/mol. Its IUPAC name is N-methyl-N-[2-(oxan-4-yl)ethyl]-2-(phenoxymethyl)-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-methyl-N-[2-(oxan-4-yl)ethyl]-2-(phenoxymethyl)-1,3-oxazole-4-carboxamide
PubChem CID25448457
Molecular FormulaC19H24N2O4
Molecular Weight344.41 g/mol
Exact Mass344.17
IUPAC NameN-methyl-N-[2-(oxan-4-yl)ethyl]-2-(phenoxymethyl)-1,3-oxazole-4-carboxamide
SMILESCN(CCC1CCOCC1)C(=O)c1coc(COc2ccccc2)n1
InChIInChI=1S/C19H24N2O4/c1-21(10-7-15-8-11-23-12-9-15)19(22)17-13-25-18(20-17)14-24-16-5-3-2-4-6-16/h2-6,13,15H,7-12,14H2,1H3
InChIKeyBKRNXEQQBWKYQH-UHFFFAOYSA-N
XLogP3.14
TPSA64.80 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.41
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[2-(oxan-4-yl)ethyl]-2-(phenoxymethyl)-1,3-oxazole-4-carboxamide?
The IUPAC name of N-methyl-N-[2-(oxan-4-yl)ethyl]-2-(phenoxymethyl)-1,3-oxazole-4-carboxamide (CID 25448457) is N-methyl-N-[2-(oxan-4-yl)ethyl]-2-(phenoxymethyl)-1,3-oxazole-4-carboxamide.
What is the SMILES notation for N-methyl-N-[2-(oxan-4-yl)ethyl]-2-(phenoxymethyl)-1,3-oxazole-4-carboxamide?
The canonical SMILES for N-methyl-N-[2-(oxan-4-yl)ethyl]-2-(phenoxymethyl)-1,3-oxazole-4-carboxamide is CN(CCC1CCOCC1)C(=O)c1coc(COc2ccccc2)n1.
What is the InChIKey of N-methyl-N-[2-(oxan-4-yl)ethyl]-2-(phenoxymethyl)-1,3-oxazole-4-carboxamide?
The InChIKey is BKRNXEQQBWKYQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O4/c1-21(10-7-15-8-11-23-12-9-15)19(22)17-13-25-18(20-17)14-24-16-5-3-2-4-6-16/h2-6,13,15H,7-12,14H2,1H3.
What are the key properties of N-methyl-N-[2-(oxan-4-yl)ethyl]-2-(phenoxymethyl)-1,3-oxazole-4-carboxamide?
N-methyl-N-[2-(oxan-4-yl)ethyl]-2-(phenoxymethyl)-1,3-oxazole-4-carboxamide has a molecular weight of 344.41 g/mol, XLogP of 3.14, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[2-(oxan-4-yl)ethyl]-2-(phenoxymethyl)-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 25448457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).