(1S)-N-[[2-(2-ethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-methyl-1-(1,2-oxazol-3-yl)ethanamine

C19H23N3O3 — CID 42565505

IUPAC(1S)-N-[[2-(2-ethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-methyl-1-(1,2-oxazol-3-yl)ethanamine
SMILESCCOc1ccccc1-c1nc(CN(C)[C@@H](C)c2ccon2)c(C)o1
InChIInChI=1S/C19H23N3O3/c1-5-23-18-9-7-6-8-15(18)19-20-17(14(3)25-19)12-22(4)13(2)16-10-11-24-21-16/h6-11,13H,5,12H2,1-4H3/t13-/m0/s1
InChIKeyAQOIBFRQWMIABM-ZDUSSCGKSA-N
MW341.41 g/mol
LogP4.23
Rot. Bonds7

About (1S)-N-[[2-(2-ethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-methyl-1-(1,2-oxazol-3-yl)ethanamine

(1S)-N-[[2-(2-ethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-methyl-1-(1,2-oxazol-3-yl)ethanamine (PubChem CID 42565505) has the molecular formula C19H23N3O3 and a molecular weight of 341.41 g/mol. Its IUPAC name is (1S)-N-[[2-(2-ethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-methyl-1-(1,2-oxazol-3-yl)ethanamine.

Molecular Properties

Compound Name(1S)-N-[[2-(2-ethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-methyl-1-(1,2-oxazol-3-yl)ethanamine
PubChem CID42565505
Molecular FormulaC19H23N3O3
Molecular Weight341.41 g/mol
Exact Mass341.17
IUPAC Name(1S)-N-[[2-(2-ethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-methyl-1-(1,2-oxazol-3-yl)ethanamine
SMILESCCOc1ccccc1-c1nc(CN(C)[C@@H](C)c2ccon2)c(C)o1
InChIInChI=1S/C19H23N3O3/c1-5-23-18-9-7-6-8-15(18)19-20-17(14(3)25-19)12-22(4)13(2)16-10-11-24-21-16/h6-11,13H,5,12H2,1-4H3/t13-/m0/s1
InChIKeyAQOIBFRQWMIABM-ZDUSSCGKSA-N
XLogP4.23
TPSA64.53 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-[[2-(2-ethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-methyl-1-pyrimidin-4-ylethanamine
CID 45193402
(1R)-N-methyl-N-[[5-methyl-2-(4-phenylphenyl)-1,3-oxazol-4-yl]methyl]-1-(1,2-oxazol-3-yl)ethanamine
CID 42244928
N-[[2-(2,5-difluorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-methyl-1-(1,2-oxazol-3-yl)ethanamine
CID 45176851
N-methyl-N-[[5-methyl-2-(5-methylfuran-2-yl)-1,3-oxazol-4-yl]methyl]-1-(1,2-oxazol-3-yl)ethanamine
CID 45203103
N-methyl-N-[[5-methyl-2-(5-methylthiophen-2-yl)-1,3-oxazol-4-yl]methyl]-1-(1,2-oxazol-3-yl)ethanamine
CID 45227041
N-methyl-N-[[5-methyl-2-[3-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]methyl]-1-(1,2-oxazol-3-yl)ethanamine
CID 45215445
N-[[2-(2-ethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-methyloxan-4-amine
CID 26328628
1-[(2R)-2,3-dihydro-1-benzofuran-2-yl]-N-[[2-(2-ethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-methylmethanamine
CID 25294250
N-[[2-(4-methoxynaphthalen-1-yl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-methyl-1-pyrimidin-4-ylethanamine
CID 45211946
(1S)-N-methyl-N-[[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]methyl]-1-thiophen-2-ylethanamine
CID 42379215
N-methyl-N-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-1-(1,2-oxazol-3-yl)ethanamine
CID 50964223
(1S)-N-[[2-(2,3-dimethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-1-(3-methoxyphenyl)-N-methylethanamine
CID 42189949

Frequently Asked Questions

What is the IUPAC name of (1S)-N-[[2-(2-ethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-methyl-1-(1,2-oxazol-3-yl)ethanamine?
The IUPAC name of (1S)-N-[[2-(2-ethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-methyl-1-(1,2-oxazol-3-yl)ethanamine (CID 42565505) is (1S)-N-[[2-(2-ethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-methyl-1-(1,2-oxazol-3-yl)ethanamine.
What is the SMILES notation for (1S)-N-[[2-(2-ethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-methyl-1-(1,2-oxazol-3-yl)ethanamine?
The canonical SMILES for (1S)-N-[[2-(2-ethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-methyl-1-(1,2-oxazol-3-yl)ethanamine is CCOc1ccccc1-c1nc(CN(C)[C@@H](C)c2ccon2)c(C)o1.
What is the InChIKey of (1S)-N-[[2-(2-ethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-methyl-1-(1,2-oxazol-3-yl)ethanamine?
The InChIKey is AQOIBFRQWMIABM-ZDUSSCGKSA-N. The full InChI is InChI=1S/C19H23N3O3/c1-5-23-18-9-7-6-8-15(18)19-20-17(14(3)25-19)12-22(4)13(2)16-10-11-24-21-16/h6-11,13H,5,12H2,1-4H3/t13-/m0/s1.
What are the key properties of (1S)-N-[[2-(2-ethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-methyl-1-(1,2-oxazol-3-yl)ethanamine?
(1S)-N-[[2-(2-ethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-methyl-1-(1,2-oxazol-3-yl)ethanamine has a molecular weight of 341.41 g/mol, XLogP of 4.23, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-N-[[2-(2-ethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-methyl-1-(1,2-oxazol-3-yl)ethanamine is sourced from PubChem (CID 42565505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).