4-[1-(3-fluoro-4-phenylphenyl)ethyl]-N-methyl-1,3-oxazol-2-amine

C18H17FN2O — CID 15676054

IUPAC4-[1-(3-fluoro-4-phenylphenyl)ethyl]-N-methyl-1,3-oxazol-2-amine
SMILESCNc1nc(C(C)c2ccc(-c3ccccc3)c(F)c2)co1
InChIInChI=1S/C18H17FN2O/c1-12(17-11-22-18(20-2)21-17)14-8-9-15(16(19)10-14)13-6-4-3-5-7-13/h3-12H,1-2H3,(H,20,21)
InChIKeyCBTDAUFZWSNPNH-UHFFFAOYSA-N
MW296.35 g/mol
LogP4.67
Rot. Bonds4

About 4-[1-(3-fluoro-4-phenylphenyl)ethyl]-N-methyl-1,3-oxazol-2-amine

4-[1-(3-fluoro-4-phenylphenyl)ethyl]-N-methyl-1,3-oxazol-2-amine (PubChem CID 15676054) has the molecular formula C18H17FN2O and a molecular weight of 296.35 g/mol. Its IUPAC name is 4-[1-(3-fluoro-4-phenylphenyl)ethyl]-N-methyl-1,3-oxazol-2-amine.

Molecular Properties

Compound Name4-[1-(3-fluoro-4-phenylphenyl)ethyl]-N-methyl-1,3-oxazol-2-amine
PubChem CID15676054
Molecular FormulaC18H17FN2O
Molecular Weight296.35 g/mol
Exact Mass296.13
IUPAC Name4-[1-(3-fluoro-4-phenylphenyl)ethyl]-N-methyl-1,3-oxazol-2-amine
SMILESCNc1nc(C(C)c2ccc(-c3ccccc3)c(F)c2)co1
InChIInChI=1S/C18H17FN2O/c1-12(17-11-22-18(20-2)21-17)14-8-9-15(16(19)10-14)13-6-4-3-5-7-13/h3-12H,1-2H3,(H,20,21)
InChIKeyCBTDAUFZWSNPNH-UHFFFAOYSA-N
XLogP4.67
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.35
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[1-(3-fluoro-4-phenylphenyl)ethyl]-N-methyl-1,3-oxazol-2-amine?
The IUPAC name of 4-[1-(3-fluoro-4-phenylphenyl)ethyl]-N-methyl-1,3-oxazol-2-amine (CID 15676054) is 4-[1-(3-fluoro-4-phenylphenyl)ethyl]-N-methyl-1,3-oxazol-2-amine.
What is the SMILES notation for 4-[1-(3-fluoro-4-phenylphenyl)ethyl]-N-methyl-1,3-oxazol-2-amine?
The canonical SMILES for 4-[1-(3-fluoro-4-phenylphenyl)ethyl]-N-methyl-1,3-oxazol-2-amine is CNc1nc(C(C)c2ccc(-c3ccccc3)c(F)c2)co1.
What is the InChIKey of 4-[1-(3-fluoro-4-phenylphenyl)ethyl]-N-methyl-1,3-oxazol-2-amine?
The InChIKey is CBTDAUFZWSNPNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN2O/c1-12(17-11-22-18(20-2)21-17)14-8-9-15(16(19)10-14)13-6-4-3-5-7-13/h3-12H,1-2H3,(H,20,21).
What are the key properties of 4-[1-(3-fluoro-4-phenylphenyl)ethyl]-N-methyl-1,3-oxazol-2-amine?
4-[1-(3-fluoro-4-phenylphenyl)ethyl]-N-methyl-1,3-oxazol-2-amine has a molecular weight of 296.35 g/mol, XLogP of 4.67, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(3-fluoro-4-phenylphenyl)ethyl]-N-methyl-1,3-oxazol-2-amine is sourced from PubChem (CID 15676054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).