N-[[5-(3-fluoro-4-methylphenyl)-1,3-oxazol-2-yl]methyl]-2-methylpropan-1-amine

C15H19FN2O — CID 65181360

IUPACN-[[5-(3-fluoro-4-methylphenyl)-1,3-oxazol-2-yl]methyl]-2-methylpropan-1-amine
SMILESCc1ccc(-c2cnc(CNCC(C)C)o2)cc1F
InChIInChI=1S/C15H19FN2O/c1-10(2)7-17-9-15-18-8-14(19-15)12-5-4-11(3)13(16)6-12/h4-6,8,10,17H,7,9H2,1-3H3
InChIKeyRYAPSZIPFAOCER-UHFFFAOYSA-N
MW262.33 g/mol
LogP3.53
Rot. Bonds5

About N-[[5-(3-fluoro-4-methylphenyl)-1,3-oxazol-2-yl]methyl]-2-methylpropan-1-amine

N-[[5-(3-fluoro-4-methylphenyl)-1,3-oxazol-2-yl]methyl]-2-methylpropan-1-amine (PubChem CID 65181360) has the molecular formula C15H19FN2O and a molecular weight of 262.33 g/mol. Its IUPAC name is N-[[5-(3-fluoro-4-methylphenyl)-1,3-oxazol-2-yl]methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[[5-(3-fluoro-4-methylphenyl)-1,3-oxazol-2-yl]methyl]-2-methylpropan-1-amine
PubChem CID65181360
Molecular FormulaC15H19FN2O
Molecular Weight262.33 g/mol
Exact Mass262.15
IUPAC NameN-[[5-(3-fluoro-4-methylphenyl)-1,3-oxazol-2-yl]methyl]-2-methylpropan-1-amine
SMILESCc1ccc(-c2cnc(CNCC(C)C)o2)cc1F
InChIInChI=1S/C15H19FN2O/c1-10(2)7-17-9-15-18-8-14(19-15)12-5-4-11(3)13(16)6-12/h4-6,8,10,17H,7,9H2,1-3H3
InChIKeyRYAPSZIPFAOCER-UHFFFAOYSA-N
XLogP3.53
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.33
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[5-(3-fluoro-4-methylphenyl)-1,3-oxazol-2-yl]methyl]-2-methylpropan-1-amine?
The IUPAC name of N-[[5-(3-fluoro-4-methylphenyl)-1,3-oxazol-2-yl]methyl]-2-methylpropan-1-amine (CID 65181360) is N-[[5-(3-fluoro-4-methylphenyl)-1,3-oxazol-2-yl]methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[[5-(3-fluoro-4-methylphenyl)-1,3-oxazol-2-yl]methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[[5-(3-fluoro-4-methylphenyl)-1,3-oxazol-2-yl]methyl]-2-methylpropan-1-amine is Cc1ccc(-c2cnc(CNCC(C)C)o2)cc1F.
What is the InChIKey of N-[[5-(3-fluoro-4-methylphenyl)-1,3-oxazol-2-yl]methyl]-2-methylpropan-1-amine?
The InChIKey is RYAPSZIPFAOCER-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN2O/c1-10(2)7-17-9-15-18-8-14(19-15)12-5-4-11(3)13(16)6-12/h4-6,8,10,17H,7,9H2,1-3H3.
What are the key properties of N-[[5-(3-fluoro-4-methylphenyl)-1,3-oxazol-2-yl]methyl]-2-methylpropan-1-amine?
N-[[5-(3-fluoro-4-methylphenyl)-1,3-oxazol-2-yl]methyl]-2-methylpropan-1-amine has a molecular weight of 262.33 g/mol, XLogP of 3.53, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(3-fluoro-4-methylphenyl)-1,3-oxazol-2-yl]methyl]-2-methylpropan-1-amine is sourced from PubChem (CID 65181360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).