2,3,4-trimethoxy-N-[(5-phenyl-1,3-oxazol-2-yl)methyl]aniline

C19H20N2O4 — CID 71997861

IUPAC2,3,4-trimethoxy-N-[(5-phenyl-1,3-oxazol-2-yl)methyl]aniline
SMILESCOc1ccc(NCc2ncc(-c3ccccc3)o2)c(OC)c1OC
InChIInChI=1S/C19H20N2O4/c1-22-15-10-9-14(18(23-2)19(15)24-3)20-12-17-21-11-16(25-17)13-7-5-4-6-8-13/h4-11,20H,12H2,1-3H3
InChIKeyIHQFLKIXYYPOGB-UHFFFAOYSA-N
MW340.38 g/mol
LogP3.98
Rot. Bonds7

About 2,3,4-trimethoxy-N-[(5-phenyl-1,3-oxazol-2-yl)methyl]aniline

2,3,4-trimethoxy-N-[(5-phenyl-1,3-oxazol-2-yl)methyl]aniline (PubChem CID 71997861) has the molecular formula C19H20N2O4 and a molecular weight of 340.38 g/mol. Its IUPAC name is 2,3,4-trimethoxy-N-[(5-phenyl-1,3-oxazol-2-yl)methyl]aniline.

Molecular Properties

Compound Name2,3,4-trimethoxy-N-[(5-phenyl-1,3-oxazol-2-yl)methyl]aniline
PubChem CID71997861
Molecular FormulaC19H20N2O4
Molecular Weight340.38 g/mol
Exact Mass340.14
IUPAC Name2,3,4-trimethoxy-N-[(5-phenyl-1,3-oxazol-2-yl)methyl]aniline
SMILESCOc1ccc(NCc2ncc(-c3ccccc3)o2)c(OC)c1OC
InChIInChI=1S/C19H20N2O4/c1-22-15-10-9-14(18(23-2)19(15)24-3)20-12-17-21-11-16(25-17)13-7-5-4-6-8-13/h4-11,20H,12H2,1-3H3
InChIKeyIHQFLKIXYYPOGB-UHFFFAOYSA-N
XLogP3.98
TPSA65.75 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,3,4-trimethoxy-N-[(5-phenyl-1,3-oxazol-2-yl)methyl]aniline?
The IUPAC name of 2,3,4-trimethoxy-N-[(5-phenyl-1,3-oxazol-2-yl)methyl]aniline (CID 71997861) is 2,3,4-trimethoxy-N-[(5-phenyl-1,3-oxazol-2-yl)methyl]aniline.
What is the SMILES notation for 2,3,4-trimethoxy-N-[(5-phenyl-1,3-oxazol-2-yl)methyl]aniline?
The canonical SMILES for 2,3,4-trimethoxy-N-[(5-phenyl-1,3-oxazol-2-yl)methyl]aniline is COc1ccc(NCc2ncc(-c3ccccc3)o2)c(OC)c1OC.
What is the InChIKey of 2,3,4-trimethoxy-N-[(5-phenyl-1,3-oxazol-2-yl)methyl]aniline?
The InChIKey is IHQFLKIXYYPOGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O4/c1-22-15-10-9-14(18(23-2)19(15)24-3)20-12-17-21-11-16(25-17)13-7-5-4-6-8-13/h4-11,20H,12H2,1-3H3.
What are the key properties of 2,3,4-trimethoxy-N-[(5-phenyl-1,3-oxazol-2-yl)methyl]aniline?
2,3,4-trimethoxy-N-[(5-phenyl-1,3-oxazol-2-yl)methyl]aniline has a molecular weight of 340.38 g/mol, XLogP of 3.98, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4-trimethoxy-N-[(5-phenyl-1,3-oxazol-2-yl)methyl]aniline is sourced from PubChem (CID 71997861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).