N-[[5-(2,6-difluoro-3-methylphenyl)-1,3-oxazol-2-yl]methyl]-2-methylpropan-1-amine

C15H18F2N2O — CID 82818536

IUPACN-[[5-(2,6-difluoro-3-methylphenyl)-1,3-oxazol-2-yl]methyl]-2-methylpropan-1-amine
SMILESCc1ccc(F)c(-c2cnc(CNCC(C)C)o2)c1F
InChIInChI=1S/C15H18F2N2O/c1-9(2)6-18-8-13-19-7-12(20-13)14-11(16)5-4-10(3)15(14)17/h4-5,7,9,18H,6,8H2,1-3H3
InChIKeyBUZCLQXUKAJGKA-UHFFFAOYSA-N
MW280.32 g/mol
LogP3.67
Rot. Bonds5

About N-[[5-(2,6-difluoro-3-methylphenyl)-1,3-oxazol-2-yl]methyl]-2-methylpropan-1-amine

N-[[5-(2,6-difluoro-3-methylphenyl)-1,3-oxazol-2-yl]methyl]-2-methylpropan-1-amine (PubChem CID 82818536) has the molecular formula C15H18F2N2O and a molecular weight of 280.32 g/mol. Its IUPAC name is N-[[5-(2,6-difluoro-3-methylphenyl)-1,3-oxazol-2-yl]methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[[5-(2,6-difluoro-3-methylphenyl)-1,3-oxazol-2-yl]methyl]-2-methylpropan-1-amine
PubChem CID82818536
Molecular FormulaC15H18F2N2O
Molecular Weight280.32 g/mol
Exact Mass280.14
IUPAC NameN-[[5-(2,6-difluoro-3-methylphenyl)-1,3-oxazol-2-yl]methyl]-2-methylpropan-1-amine
SMILESCc1ccc(F)c(-c2cnc(CNCC(C)C)o2)c1F
InChIInChI=1S/C15H18F2N2O/c1-9(2)6-18-8-13-19-7-12(20-13)14-11(16)5-4-10(3)15(14)17/h4-5,7,9,18H,6,8H2,1-3H3
InChIKeyBUZCLQXUKAJGKA-UHFFFAOYSA-N
XLogP3.67
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.32
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[5-(2,6-difluoro-3-methylphenyl)-1,3-oxazol-2-yl]methyl]-2-methylpropan-1-amine?
The IUPAC name of N-[[5-(2,6-difluoro-3-methylphenyl)-1,3-oxazol-2-yl]methyl]-2-methylpropan-1-amine (CID 82818536) is N-[[5-(2,6-difluoro-3-methylphenyl)-1,3-oxazol-2-yl]methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[[5-(2,6-difluoro-3-methylphenyl)-1,3-oxazol-2-yl]methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[[5-(2,6-difluoro-3-methylphenyl)-1,3-oxazol-2-yl]methyl]-2-methylpropan-1-amine is Cc1ccc(F)c(-c2cnc(CNCC(C)C)o2)c1F.
What is the InChIKey of N-[[5-(2,6-difluoro-3-methylphenyl)-1,3-oxazol-2-yl]methyl]-2-methylpropan-1-amine?
The InChIKey is BUZCLQXUKAJGKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F2N2O/c1-9(2)6-18-8-13-19-7-12(20-13)14-11(16)5-4-10(3)15(14)17/h4-5,7,9,18H,6,8H2,1-3H3.
What are the key properties of N-[[5-(2,6-difluoro-3-methylphenyl)-1,3-oxazol-2-yl]methyl]-2-methylpropan-1-amine?
N-[[5-(2,6-difluoro-3-methylphenyl)-1,3-oxazol-2-yl]methyl]-2-methylpropan-1-amine has a molecular weight of 280.32 g/mol, XLogP of 3.67, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(2,6-difluoro-3-methylphenyl)-1,3-oxazol-2-yl]methyl]-2-methylpropan-1-amine is sourced from PubChem (CID 82818536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).