6-(1-ethoxyethyl)-7-fluoro-N-[(4-methoxyphenyl)methyl]-1,2-benzoxazol-3-amine

C19H21FN2O3 — CID 167066853

IUPAC6-(1-ethoxyethyl)-7-fluoro-N-[(4-methoxyphenyl)methyl]-1,2-benzoxazol-3-amine
SMILESCCOC(C)c1ccc2c(NCc3ccc(OC)cc3)noc2c1F
InChIInChI=1S/C19H21FN2O3/c1-4-24-12(2)15-9-10-16-18(17(15)20)25-22-19(16)21-11-13-5-7-14(23-3)8-6-13/h5-10,12H,4,11H2,1-3H3,(H,21,22)
InChIKeyAXIFYAKKQTXGAL-UHFFFAOYSA-N
MW344.39 g/mol
LogP4.69
Rot. Bonds7

About 6-(1-ethoxyethyl)-7-fluoro-N-[(4-methoxyphenyl)methyl]-1,2-benzoxazol-3-amine

6-(1-ethoxyethyl)-7-fluoro-N-[(4-methoxyphenyl)methyl]-1,2-benzoxazol-3-amine (PubChem CID 167066853) has the molecular formula C19H21FN2O3 and a molecular weight of 344.39 g/mol. Its IUPAC name is 6-(1-ethoxyethyl)-7-fluoro-N-[(4-methoxyphenyl)methyl]-1,2-benzoxazol-3-amine.

Molecular Properties

Compound Name6-(1-ethoxyethyl)-7-fluoro-N-[(4-methoxyphenyl)methyl]-1,2-benzoxazol-3-amine
PubChem CID167066853
Molecular FormulaC19H21FN2O3
Molecular Weight344.39 g/mol
Exact Mass344.15
IUPAC Name6-(1-ethoxyethyl)-7-fluoro-N-[(4-methoxyphenyl)methyl]-1,2-benzoxazol-3-amine
SMILESCCOC(C)c1ccc2c(NCc3ccc(OC)cc3)noc2c1F
InChIInChI=1S/C19H21FN2O3/c1-4-24-12(2)15-9-10-16-18(17(15)20)25-22-19(16)21-11-13-5-7-14(23-3)8-6-13/h5-10,12H,4,11H2,1-3H3,(H,21,22)
InChIKeyAXIFYAKKQTXGAL-UHFFFAOYSA-N
XLogP4.69
TPSA56.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.39
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

7-iodo-N-[(4-methoxyphenyl)methyl]-6-methyl-1,2-benzoxazol-3-amine
CID 66953519
1-[2,3-difluoro-6-[(4-methoxyphenyl)methylamino]-4-pyridinyl]ethanol
CID 142781414
2-(aminomethyl)-6-fluoro-N-[(4-methoxyphenyl)methyl]quinazolin-4-amine
CID 68516812
N-[(4-methoxyphenyl)methyl]-1,2-oxazol-3-amine
CID 82671591
3-fluoro-N-[(4-methoxyphenyl)methyl]pyridin-2-amine
CID 62735098
3,4,5-trifluoro-N-[(4-methoxyphenyl)methyl]aniline
CID 62809233
5-fluoro-N-[(4-methoxyphenyl)methyl]pyridin-2-amine
CID 61311584
6-chloro-N-[(4-methoxyphenyl)methyl]-2-(2-methylpropyl)pyrimidin-4-amine
CID 82463263
N-[(4-fluorophenyl)methyl]-6-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyridazin-3-amine
CID 53054500
4-ethoxy-N-[(4-methoxyphenyl)methyl]pyrimidin-2-amine
CID 112636470
2-fluoro-N-[(4-methoxyphenyl)methyl]-9-propan-2-ylpurin-6-amine
CID 142641893
6-chloro-N-[(4-methoxyphenyl)methyl]-2-(trifluoromethyl)pyrimidin-4-amine
CID 106767088

Frequently Asked Questions

What is the IUPAC name of 6-(1-ethoxyethyl)-7-fluoro-N-[(4-methoxyphenyl)methyl]-1,2-benzoxazol-3-amine?
The IUPAC name of 6-(1-ethoxyethyl)-7-fluoro-N-[(4-methoxyphenyl)methyl]-1,2-benzoxazol-3-amine (CID 167066853) is 6-(1-ethoxyethyl)-7-fluoro-N-[(4-methoxyphenyl)methyl]-1,2-benzoxazol-3-amine.
What is the SMILES notation for 6-(1-ethoxyethyl)-7-fluoro-N-[(4-methoxyphenyl)methyl]-1,2-benzoxazol-3-amine?
The canonical SMILES for 6-(1-ethoxyethyl)-7-fluoro-N-[(4-methoxyphenyl)methyl]-1,2-benzoxazol-3-amine is CCOC(C)c1ccc2c(NCc3ccc(OC)cc3)noc2c1F.
What is the InChIKey of 6-(1-ethoxyethyl)-7-fluoro-N-[(4-methoxyphenyl)methyl]-1,2-benzoxazol-3-amine?
The InChIKey is AXIFYAKKQTXGAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN2O3/c1-4-24-12(2)15-9-10-16-18(17(15)20)25-22-19(16)21-11-13-5-7-14(23-3)8-6-13/h5-10,12H,4,11H2,1-3H3,(H,21,22).
What are the key properties of 6-(1-ethoxyethyl)-7-fluoro-N-[(4-methoxyphenyl)methyl]-1,2-benzoxazol-3-amine?
6-(1-ethoxyethyl)-7-fluoro-N-[(4-methoxyphenyl)methyl]-1,2-benzoxazol-3-amine has a molecular weight of 344.39 g/mol, XLogP of 4.69, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-ethoxyethyl)-7-fluoro-N-[(4-methoxyphenyl)methyl]-1,2-benzoxazol-3-amine is sourced from PubChem (CID 167066853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).