1-[(2R)-2,3-dihydro-1-benzofuran-2-yl]-N-[[2-(2-ethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-methylmethanamine

C23H26N2O3 — CID 25294250

IUPAC1-[(2R)-2,3-dihydro-1-benzofuran-2-yl]-N-[[2-(2-ethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-methylmethanamine
SMILESCCOc1ccccc1-c1nc(CN(C)C[C@H]2Cc3ccccc3O2)c(C)o1
InChIInChI=1S/C23H26N2O3/c1-4-26-22-12-8-6-10-19(22)23-24-20(16(2)27-23)15-25(3)14-18-13-17-9-5-7-11-21(17)28-18/h5-12,18H,4,13-15H2,1-3H3/t18-/m1/s1
InChIKeyCAAZUWJWKQKIKI-GOSISDBHSA-N
MW378.47 g/mol
LogP4.48
Rot. Bonds7

About 1-[(2R)-2,3-dihydro-1-benzofuran-2-yl]-N-[[2-(2-ethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-methylmethanamine

1-[(2R)-2,3-dihydro-1-benzofuran-2-yl]-N-[[2-(2-ethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-methylmethanamine (PubChem CID 25294250) has the molecular formula C23H26N2O3 and a molecular weight of 378.47 g/mol. Its IUPAC name is 1-[(2R)-2,3-dihydro-1-benzofuran-2-yl]-N-[[2-(2-ethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[(2R)-2,3-dihydro-1-benzofuran-2-yl]-N-[[2-(2-ethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-methylmethanamine
PubChem CID25294250
Molecular FormulaC23H26N2O3
Molecular Weight378.47 g/mol
Exact Mass378.19
IUPAC Name1-[(2R)-2,3-dihydro-1-benzofuran-2-yl]-N-[[2-(2-ethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-methylmethanamine
SMILESCCOc1ccccc1-c1nc(CN(C)C[C@H]2Cc3ccccc3O2)c(C)o1
InChIInChI=1S/C23H26N2O3/c1-4-26-22-12-8-6-10-19(22)23-24-20(16(2)27-23)15-25(3)14-18-13-17-9-5-7-11-21(17)28-18/h5-12,18H,4,13-15H2,1-3H3/t18-/m1/s1
InChIKeyCAAZUWJWKQKIKI-GOSISDBHSA-N
XLogP4.48
TPSA47.73 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.47
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-[(2R)-2,3-dihydro-1-benzofuran-2-yl]-N-[[2-(2-ethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-methylmethanamine with MolForge

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Related Compounds

N-[[2-(2-ethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-methyloxan-4-amine
CID 26328628
(1S)-N-[[2-(2-ethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-methyl-1-(1,2-oxazol-3-yl)ethanamine
CID 42565505
N-[[2-(2-ethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-methyl-1-pyrimidin-4-ylethanamine
CID 45193402
2-(2-ethoxyphenyl)-4-[(4-methoxypiperidin-1-yl)methyl]-5-methyl-1,3-oxazole
CID 25491864
N-[[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-1-[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]-N-methylmethanamine
CID 42394324
2-(2-ethoxyphenyl)-4-[[2-(4-fluorophenyl)pyrrolidin-1-yl]methyl]-5-methyl-1,3-oxazole
CID 45230544
1-(2,3-dihydro-1-benzofuran-2-yl)-N,N-dimethylmethanamine
CID 2842479
1-[(2S)-2,3-dihydro-1-benzofuran-2-yl]-N-methyl-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]methanamine
CID 125176993
1-(2,3-dihydro-1-benzofuran-2-yl)-N-methyl-N-[(2-pyrrolidin-1-yl-1,3-thiazol-5-yl)methyl]methanamine
CID 77091114
(S)-[1-[[2-(2-ethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperidin-4-yl]-thiophen-2-ylmethanol
CID 25482206
methyl 4-[4-[[2,3-dihydro-1,4-benzodioxin-3-ylmethyl(methyl)amino]methyl]-5-methyl-1,3-oxazol-2-yl]benzoate
CID 45173206
N-[1-[[2-(2-ethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperidin-4-yl]acetamide
CID 56743559

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-2,3-dihydro-1-benzofuran-2-yl]-N-[[2-(2-ethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-methylmethanamine?
The IUPAC name of 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) is 1-[(2R)-2,3-dihydro-1-benzofuran-2-yl]-N-[[2-(2-ethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-methylmethanamine.
What is the SMILES notation for 1-[(2R)-2,3-dihydro-1-benzofuran-2-yl]-N-[[2-(2-ethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-methylmethanamine?
The canonical SMILES for 1-[(2R)-2,3-dihydro-1-benzofuran-2-yl]-N-[[2-(2-ethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-methylmethanamine is CCOc1ccccc1-c1nc(CN(C)C[C@H]2Cc3ccccc3O2)c(C)o1.
What is the InChIKey of 1-[(2R)-2,3-dihydro-1-benzofuran-2-yl]-N-[[2-(2-ethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-methylmethanamine?
The InChIKey is CAAZUWJWKQKIKI-GOSISDBHSA-N. The full InChI is InChI=1S/C23H26N2O3/c1-4-26-22-12-8-6-10-19(22)23-24-20(16(2)27-23)15-25(3)14-18-13-17-9-5-7-11-21(17)28-18/h5-12,18H,4,13-15H2,1-3H3/t18-/m1/s1.
What are the key properties of 1-[(2R)-2,3-dihydro-1-benzofuran-2-yl]-N-[[2-(2-ethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-methylmethanamine?
1-[(2R)-2,3-dihydro-1-benzofuran-2-yl]-N-[[2-(2-ethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-methylmethanamine has a molecular weight of 378.47 g/mol, XLogP of 4.48, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-2,3-dihydro-1-benzofuran-2-yl]-N-[[2-(2-ethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-methylmethanamine is sourced from PubChem (CID 25294250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).