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

C14H17FN2O — CID 103096708

IUPACN-[(5-ethyl-1,3-oxazol-2-yl)methyl]-1-(4-fluoro-2-methylphenyl)methanamine
SMILESCCc1cnc(CNCc2ccc(F)cc2C)o1
InChIInChI=1S/C14H17FN2O/c1-3-13-8-17-14(18-13)9-16-7-11-4-5-12(15)6-10(11)2/h4-6,8,16H,3,7,9H2,1-2H3
InChIKeyCSQWCCVEJSAMKE-UHFFFAOYSA-N
MW248.30 g/mol
LogP2.97
Rot. Bonds5

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

N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-1-(4-fluoro-2-methylphenyl)methanamine (PubChem CID 103096708) has the molecular formula C14H17FN2O and a molecular weight of 248.30 g/mol. Its IUPAC name is N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-1-(4-fluoro-2-methylphenyl)methanamine.

Molecular Properties

Compound NameN-[(5-ethyl-1,3-oxazol-2-yl)methyl]-1-(4-fluoro-2-methylphenyl)methanamine
PubChem CID103096708
Molecular FormulaC14H17FN2O
Molecular Weight248.30 g/mol
Exact Mass248.13
IUPAC NameN-[(5-ethyl-1,3-oxazol-2-yl)methyl]-1-(4-fluoro-2-methylphenyl)methanamine
SMILESCCc1cnc(CNCc2ccc(F)cc2C)o1
InChIInChI=1S/C14H17FN2O/c1-3-13-8-17-14(18-13)9-16-7-11-4-5-12(15)6-10(11)2/h4-6,8,16H,3,7,9H2,1-2H3
InChIKeyCSQWCCVEJSAMKE-UHFFFAOYSA-N
XLogP2.97
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.30
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-1-(4-fluoro-2-methylphenyl)methanamine?
The IUPAC name of N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-1-(4-fluoro-2-methylphenyl)methanamine (CID 103096708) is N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-1-(4-fluoro-2-methylphenyl)methanamine.
What is the SMILES notation for N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-1-(4-fluoro-2-methylphenyl)methanamine?
The canonical SMILES for N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-1-(4-fluoro-2-methylphenyl)methanamine is CCc1cnc(CNCc2ccc(F)cc2C)o1.
What is the InChIKey of N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-1-(4-fluoro-2-methylphenyl)methanamine?
The InChIKey is CSQWCCVEJSAMKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN2O/c1-3-13-8-17-14(18-13)9-16-7-11-4-5-12(15)6-10(11)2/h4-6,8,16H,3,7,9H2,1-2H3.
What are the key properties of N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-1-(4-fluoro-2-methylphenyl)methanamine?
N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-1-(4-fluoro-2-methylphenyl)methanamine has a molecular weight of 248.30 g/mol, XLogP of 2.97, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-1-(4-fluoro-2-methylphenyl)methanamine is sourced from PubChem (CID 103096708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).