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

C14H16F2N2O — CID 82819022

IUPAC1-[5-(2,6-difluoro-3-methylphenyl)-1,3-oxazol-2-yl]-N-ethylethanamine
SMILESCCNC(C)c1ncc(-c2c(F)ccc(C)c2F)o1
InChIInChI=1S/C14H16F2N2O/c1-4-17-9(3)14-18-7-11(19-14)12-10(15)6-5-8(2)13(12)16/h5-7,9,17H,4H2,1-3H3
InChIKeyLMOUAPGSFBIQSK-UHFFFAOYSA-N
MW266.29 g/mol
LogP3.60
Rot. Bonds4

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

1-[5-(2,6-difluoro-3-methylphenyl)-1,3-oxazol-2-yl]-N-ethylethanamine (PubChem CID 82819022) has the molecular formula C14H16F2N2O and a molecular weight of 266.29 g/mol. Its IUPAC name is 1-[5-(2,6-difluoro-3-methylphenyl)-1,3-oxazol-2-yl]-N-ethylethanamine.

Molecular Properties

Compound Name1-[5-(2,6-difluoro-3-methylphenyl)-1,3-oxazol-2-yl]-N-ethylethanamine
PubChem CID82819022
Molecular FormulaC14H16F2N2O
Molecular Weight266.29 g/mol
Exact Mass266.12
IUPAC Name1-[5-(2,6-difluoro-3-methylphenyl)-1,3-oxazol-2-yl]-N-ethylethanamine
SMILESCCNC(C)c1ncc(-c2c(F)ccc(C)c2F)o1
InChIInChI=1S/C14H16F2N2O/c1-4-17-9(3)14-18-7-11(19-14)12-10(15)6-5-8(2)13(12)16/h5-7,9,17H,4H2,1-3H3
InChIKeyLMOUAPGSFBIQSK-UHFFFAOYSA-N
XLogP3.60
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.29
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(2,6-difluoro-3-methylphenyl)-1,3-oxazol-2-yl]-N-ethylethanamine?
The IUPAC name of 1-[5-(2,6-difluoro-3-methylphenyl)-1,3-oxazol-2-yl]-N-ethylethanamine (CID 82819022) is 1-[5-(2,6-difluoro-3-methylphenyl)-1,3-oxazol-2-yl]-N-ethylethanamine.
What is the SMILES notation for 1-[5-(2,6-difluoro-3-methylphenyl)-1,3-oxazol-2-yl]-N-ethylethanamine?
The canonical SMILES for 1-[5-(2,6-difluoro-3-methylphenyl)-1,3-oxazol-2-yl]-N-ethylethanamine is CCNC(C)c1ncc(-c2c(F)ccc(C)c2F)o1.
What is the InChIKey of 1-[5-(2,6-difluoro-3-methylphenyl)-1,3-oxazol-2-yl]-N-ethylethanamine?
The InChIKey is LMOUAPGSFBIQSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F2N2O/c1-4-17-9(3)14-18-7-11(19-14)12-10(15)6-5-8(2)13(12)16/h5-7,9,17H,4H2,1-3H3.
What are the key properties of 1-[5-(2,6-difluoro-3-methylphenyl)-1,3-oxazol-2-yl]-N-ethylethanamine?
1-[5-(2,6-difluoro-3-methylphenyl)-1,3-oxazol-2-yl]-N-ethylethanamine has a molecular weight of 266.29 g/mol, XLogP of 3.60, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(2,6-difluoro-3-methylphenyl)-1,3-oxazol-2-yl]-N-ethylethanamine is sourced from PubChem (CID 82819022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).