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

C16H16N2O2 — CID 56675593

IUPACN-[[2-(furan-2-yl)-1,3-oxazol-4-yl]methyl]-1-(2-methylphenyl)methanamine
SMILESCc1ccccc1CNCc1coc(-c2ccco2)n1
InChIInChI=1S/C16H16N2O2/c1-12-5-2-3-6-13(12)9-17-10-14-11-20-16(18-14)15-7-4-8-19-15/h2-8,11,17H,9-10H2,1H3
InChIKeyAMUNHLKGYYNWOI-UHFFFAOYSA-N
MW268.32 g/mol
LogP3.53
Rot. Bonds5

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

N-[[2-(furan-2-yl)-1,3-oxazol-4-yl]methyl]-1-(2-methylphenyl)methanamine (PubChem CID 56675593) has the molecular formula C16H16N2O2 and a molecular weight of 268.32 g/mol. Its IUPAC name is N-[[2-(furan-2-yl)-1,3-oxazol-4-yl]methyl]-1-(2-methylphenyl)methanamine.

Molecular Properties

Compound NameN-[[2-(furan-2-yl)-1,3-oxazol-4-yl]methyl]-1-(2-methylphenyl)methanamine
PubChem CID56675593
Molecular FormulaC16H16N2O2
Molecular Weight268.32 g/mol
Exact Mass268.12
IUPAC NameN-[[2-(furan-2-yl)-1,3-oxazol-4-yl]methyl]-1-(2-methylphenyl)methanamine
SMILESCc1ccccc1CNCc1coc(-c2ccco2)n1
InChIInChI=1S/C16H16N2O2/c1-12-5-2-3-6-13(12)9-17-10-14-11-20-16(18-14)15-7-4-8-19-15/h2-8,11,17H,9-10H2,1H3
InChIKeyAMUNHLKGYYNWOI-UHFFFAOYSA-N
XLogP3.53
TPSA51.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[2-(furan-2-yl)-1,3-oxazol-4-yl]methyl]-1-(2-methylphenyl)methanamine?
The IUPAC name of N-[[2-(furan-2-yl)-1,3-oxazol-4-yl]methyl]-1-(2-methylphenyl)methanamine (CID 56675593) is N-[[2-(furan-2-yl)-1,3-oxazol-4-yl]methyl]-1-(2-methylphenyl)methanamine.
What is the SMILES notation for N-[[2-(furan-2-yl)-1,3-oxazol-4-yl]methyl]-1-(2-methylphenyl)methanamine?
The canonical SMILES for N-[[2-(furan-2-yl)-1,3-oxazol-4-yl]methyl]-1-(2-methylphenyl)methanamine is Cc1ccccc1CNCc1coc(-c2ccco2)n1.
What is the InChIKey of N-[[2-(furan-2-yl)-1,3-oxazol-4-yl]methyl]-1-(2-methylphenyl)methanamine?
The InChIKey is AMUNHLKGYYNWOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O2/c1-12-5-2-3-6-13(12)9-17-10-14-11-20-16(18-14)15-7-4-8-19-15/h2-8,11,17H,9-10H2,1H3.
What are the key properties of N-[[2-(furan-2-yl)-1,3-oxazol-4-yl]methyl]-1-(2-methylphenyl)methanamine?
N-[[2-(furan-2-yl)-1,3-oxazol-4-yl]methyl]-1-(2-methylphenyl)methanamine has a molecular weight of 268.32 g/mol, XLogP of 3.53, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(furan-2-yl)-1,3-oxazol-4-yl]methyl]-1-(2-methylphenyl)methanamine is sourced from PubChem (CID 56675593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).