1-(furan-2-yl)-N-methyl-N-[[2-(3-methylphenyl)-1,3-oxazol-4-yl]methyl]methanamine

C17H18N2O2 — CID 56665525

IUPAC1-(furan-2-yl)-N-methyl-N-[[2-(3-methylphenyl)-1,3-oxazol-4-yl]methyl]methanamine
SMILESCc1cccc(-c2nc(CN(C)Cc3ccco3)co2)c1
InChIInChI=1S/C17H18N2O2/c1-13-5-3-6-14(9-13)17-18-15(12-21-17)10-19(2)11-16-7-4-8-20-16/h3-9,12H,10-11H2,1-2H3
InChIKeyVTICDBUPONAMPP-UHFFFAOYSA-N
MW282.34 g/mol
LogP3.88
Rot. Bonds5

About 1-(furan-2-yl)-N-methyl-N-[[2-(3-methylphenyl)-1,3-oxazol-4-yl]methyl]methanamine

1-(furan-2-yl)-N-methyl-N-[[2-(3-methylphenyl)-1,3-oxazol-4-yl]methyl]methanamine (PubChem CID 56665525) has the molecular formula C17H18N2O2 and a molecular weight of 282.34 g/mol. Its IUPAC name is 1-(furan-2-yl)-N-methyl-N-[[2-(3-methylphenyl)-1,3-oxazol-4-yl]methyl]methanamine.

Molecular Properties

Compound Name1-(furan-2-yl)-N-methyl-N-[[2-(3-methylphenyl)-1,3-oxazol-4-yl]methyl]methanamine
PubChem CID56665525
Molecular FormulaC17H18N2O2
Molecular Weight282.34 g/mol
Exact Mass282.14
IUPAC Name1-(furan-2-yl)-N-methyl-N-[[2-(3-methylphenyl)-1,3-oxazol-4-yl]methyl]methanamine
SMILESCc1cccc(-c2nc(CN(C)Cc3ccco3)co2)c1
InChIInChI=1S/C17H18N2O2/c1-13-5-3-6-14(9-13)17-18-15(12-21-17)10-19(2)11-16-7-4-8-20-16/h3-9,12H,10-11H2,1-2H3
InChIKeyVTICDBUPONAMPP-UHFFFAOYSA-N
XLogP3.88
TPSA42.41 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(furan-2-yl)-N-methyl-N-[[2-(3-methylphenyl)-1,3-oxazol-4-yl]methyl]methanamine?
The IUPAC name of 1-(furan-2-yl)-N-methyl-N-[[2-(3-methylphenyl)-1,3-oxazol-4-yl]methyl]methanamine (CID 56665525) is 1-(furan-2-yl)-N-methyl-N-[[2-(3-methylphenyl)-1,3-oxazol-4-yl]methyl]methanamine.
What is the SMILES notation for 1-(furan-2-yl)-N-methyl-N-[[2-(3-methylphenyl)-1,3-oxazol-4-yl]methyl]methanamine?
The canonical SMILES for 1-(furan-2-yl)-N-methyl-N-[[2-(3-methylphenyl)-1,3-oxazol-4-yl]methyl]methanamine is Cc1cccc(-c2nc(CN(C)Cc3ccco3)co2)c1.
What is the InChIKey of 1-(furan-2-yl)-N-methyl-N-[[2-(3-methylphenyl)-1,3-oxazol-4-yl]methyl]methanamine?
The InChIKey is VTICDBUPONAMPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O2/c1-13-5-3-6-14(9-13)17-18-15(12-21-17)10-19(2)11-16-7-4-8-20-16/h3-9,12H,10-11H2,1-2H3.
What are the key properties of 1-(furan-2-yl)-N-methyl-N-[[2-(3-methylphenyl)-1,3-oxazol-4-yl]methyl]methanamine?
1-(furan-2-yl)-N-methyl-N-[[2-(3-methylphenyl)-1,3-oxazol-4-yl]methyl]methanamine has a molecular weight of 282.34 g/mol, XLogP of 3.88, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-2-yl)-N-methyl-N-[[2-(3-methylphenyl)-1,3-oxazol-4-yl]methyl]methanamine is sourced from PubChem (CID 56665525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).