N-cyclobutyl-N-(3-fluorophenyl)-5-methyl-1,2-oxazol-3-amine

C14H15FN2O — CID 90687614

IUPACN-cyclobutyl-N-(3-fluorophenyl)-5-methyl-1,2-oxazol-3-amine
SMILESCc1cc(N(c2cccc(F)c2)C2CCC2)no1
InChIInChI=1S/C14H15FN2O/c1-10-8-14(16-18-10)17(12-5-3-6-12)13-7-2-4-11(15)9-13/h2,4,7-9,12H,3,5-6H2,1H3
InChIKeyWLCWHBHQCMAQKU-UHFFFAOYSA-N
MW246.28 g/mol
LogP3.81
Rot. Bonds3

About N-cyclobutyl-N-(3-fluorophenyl)-5-methyl-1,2-oxazol-3-amine

N-cyclobutyl-N-(3-fluorophenyl)-5-methyl-1,2-oxazol-3-amine (PubChem CID 90687614) has the molecular formula C14H15FN2O and a molecular weight of 246.28 g/mol. Its IUPAC name is N-cyclobutyl-N-(3-fluorophenyl)-5-methyl-1,2-oxazol-3-amine.

Molecular Properties

Compound NameN-cyclobutyl-N-(3-fluorophenyl)-5-methyl-1,2-oxazol-3-amine
PubChem CID90687614
Molecular FormulaC14H15FN2O
Molecular Weight246.28 g/mol
Exact Mass246.12
IUPAC NameN-cyclobutyl-N-(3-fluorophenyl)-5-methyl-1,2-oxazol-3-amine
SMILESCc1cc(N(c2cccc(F)c2)C2CCC2)no1
InChIInChI=1S/C14H15FN2O/c1-10-8-14(16-18-10)17(12-5-3-6-12)13-7-2-4-11(15)9-13/h2,4,7-9,12H,3,5-6H2,1H3
InChIKeyWLCWHBHQCMAQKU-UHFFFAOYSA-N
XLogP3.81
TPSA29.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.28
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-cyclobutyl-N-(3-fluorophenyl)-5-methyl-1,2-oxazol-3-amine?
The IUPAC name of N-cyclobutyl-N-(3-fluorophenyl)-5-methyl-1,2-oxazol-3-amine (CID 90687614) is N-cyclobutyl-N-(3-fluorophenyl)-5-methyl-1,2-oxazol-3-amine.
What is the SMILES notation for N-cyclobutyl-N-(3-fluorophenyl)-5-methyl-1,2-oxazol-3-amine?
The canonical SMILES for N-cyclobutyl-N-(3-fluorophenyl)-5-methyl-1,2-oxazol-3-amine is Cc1cc(N(c2cccc(F)c2)C2CCC2)no1.
What is the InChIKey of N-cyclobutyl-N-(3-fluorophenyl)-5-methyl-1,2-oxazol-3-amine?
The InChIKey is WLCWHBHQCMAQKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN2O/c1-10-8-14(16-18-10)17(12-5-3-6-12)13-7-2-4-11(15)9-13/h2,4,7-9,12H,3,5-6H2,1H3.
What are the key properties of N-cyclobutyl-N-(3-fluorophenyl)-5-methyl-1,2-oxazol-3-amine?
N-cyclobutyl-N-(3-fluorophenyl)-5-methyl-1,2-oxazol-3-amine has a molecular weight of 246.28 g/mol, XLogP of 3.81, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclobutyl-N-(3-fluorophenyl)-5-methyl-1,2-oxazol-3-amine is sourced from PubChem (CID 90687614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).