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

C17H19N3O3 — CID 47028185

IUPAC4-methoxy-N,N-bis[(5-methyl-1,2-oxazol-3-yl)methyl]aniline
SMILESCOc1ccc(N(Cc2cc(C)on2)Cc2cc(C)on2)cc1
InChIInChI=1S/C17H19N3O3/c1-12-8-14(18-22-12)10-20(11-15-9-13(2)23-19-15)16-4-6-17(21-3)7-5-16/h4-9H,10-11H2,1-3H3
InChIKeyRMCLYENBZMCZNH-UHFFFAOYSA-N
MW313.36 g/mol
LogP3.49
Rot. Bonds6

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

4-methoxy-N,N-bis[(5-methyl-1,2-oxazol-3-yl)methyl]aniline (PubChem CID 47028185) has the molecular formula C17H19N3O3 and a molecular weight of 313.36 g/mol. Its IUPAC name is 4-methoxy-N,N-bis[(5-methyl-1,2-oxazol-3-yl)methyl]aniline.

Molecular Properties

Compound Name4-methoxy-N,N-bis[(5-methyl-1,2-oxazol-3-yl)methyl]aniline
PubChem CID47028185
Molecular FormulaC17H19N3O3
Molecular Weight313.36 g/mol
Exact Mass313.14
IUPAC Name4-methoxy-N,N-bis[(5-methyl-1,2-oxazol-3-yl)methyl]aniline
SMILESCOc1ccc(N(Cc2cc(C)on2)Cc2cc(C)on2)cc1
InChIInChI=1S/C17H19N3O3/c1-12-8-14(18-22-12)10-20(11-15-9-13(2)23-19-15)16-4-6-17(21-3)7-5-16/h4-9H,10-11H2,1-3H3
InChIKeyRMCLYENBZMCZNH-UHFFFAOYSA-N
XLogP3.49
TPSA64.53 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.36
LogP ≤ 53.49
H-Bond Donors ≤ 50
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 4-methoxy-N,N-bis[(5-methyl-1,2-oxazol-3-yl)methyl]aniline?
The IUPAC name of 4-methoxy-N,N-bis[(5-methyl-1,2-oxazol-3-yl)methyl]aniline (CID 47028185) is 4-methoxy-N,N-bis[(5-methyl-1,2-oxazol-3-yl)methyl]aniline.
What is the SMILES notation for 4-methoxy-N,N-bis[(5-methyl-1,2-oxazol-3-yl)methyl]aniline?
The canonical SMILES for 4-methoxy-N,N-bis[(5-methyl-1,2-oxazol-3-yl)methyl]aniline is COc1ccc(N(Cc2cc(C)on2)Cc2cc(C)on2)cc1.
What is the InChIKey of 4-methoxy-N,N-bis[(5-methyl-1,2-oxazol-3-yl)methyl]aniline?
The InChIKey is RMCLYENBZMCZNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O3/c1-12-8-14(18-22-12)10-20(11-15-9-13(2)23-19-15)16-4-6-17(21-3)7-5-16/h4-9H,10-11H2,1-3H3.
What are the key properties of 4-methoxy-N,N-bis[(5-methyl-1,2-oxazol-3-yl)methyl]aniline?
4-methoxy-N,N-bis[(5-methyl-1,2-oxazol-3-yl)methyl]aniline has a molecular weight of 313.36 g/mol, XLogP of 3.49, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N,N-bis[(5-methyl-1,2-oxazol-3-yl)methyl]aniline is sourced from PubChem (CID 47028185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).