trans-(1S,3S)-N-cyclobutyl-3-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methyl]-2,2-dimethylcyclobutan-1-amine

C20H25FN2O — CID 56774060

IUPACtrans-(1S,3S)-N-cyclobutyl-3-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methyl]-2,2-dimethylcyclobutan-1-amine
SMILESCC1(C)[C@H](Cc2cc(-c3ccc(F)cc3)on2)C[C@@H]1NC1CCC1
InChIInChI=1S/C20H25FN2O/c1-20(2)14(11-19(20)22-16-4-3-5-16)10-17-12-18(24-23-17)13-6-8-15(21)9-7-13/h6-9,12,14,16,19,22H,3-5,10-11H2,1-2H3/t14-,19+/m1/s1
InChIKeyLFNVWURWEOOMNB-KUHUBIRLSA-N
MW328.43 g/mol
LogP4.58
Rot. Bonds5

About trans-(1S,3S)-N-cyclobutyl-3-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methyl]-2,2-dimethylcyclobutan-1-amine

trans-(1S,3S)-N-cyclobutyl-3-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methyl]-2,2-dimethylcyclobutan-1-amine (PubChem CID 56774060) has the molecular formula C20H25FN2O and a molecular weight of 328.43 g/mol. Its IUPAC name is trans-(1S,3S)-N-cyclobutyl-3-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methyl]-2,2-dimethylcyclobutan-1-amine.

Molecular Properties

Compound Nametrans-(1S,3S)-N-cyclobutyl-3-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methyl]-2,2-dimethylcyclobutan-1-amine
PubChem CID56774060
Molecular FormulaC20H25FN2O
Molecular Weight328.43 g/mol
Exact Mass328.20
IUPAC Nametrans-(1S,3S)-N-cyclobutyl-3-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methyl]-2,2-dimethylcyclobutan-1-amine
SMILESCC1(C)[C@H](Cc2cc(-c3ccc(F)cc3)on2)C[C@@H]1NC1CCC1
InChIInChI=1S/C20H25FN2O/c1-20(2)14(11-19(20)22-16-4-3-5-16)10-17-12-18(24-23-17)13-6-8-15(21)9-7-13/h6-9,12,14,16,19,22H,3-5,10-11H2,1-2H3/t14-,19+/m1/s1
InChIKeyLFNVWURWEOOMNB-KUHUBIRLSA-N
XLogP4.58
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.43
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of trans-(1S,3S)-N-cyclobutyl-3-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methyl]-2,2-dimethylcyclobutan-1-amine?
The IUPAC name of trans-(1S,3S)-N-cyclobutyl-3-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methyl]-2,2-dimethylcyclobutan-1-amine (CID 56774060) is trans-(1S,3S)-N-cyclobutyl-3-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methyl]-2,2-dimethylcyclobutan-1-amine.
What is the SMILES notation for trans-(1S,3S)-N-cyclobutyl-3-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methyl]-2,2-dimethylcyclobutan-1-amine?
The canonical SMILES for trans-(1S,3S)-N-cyclobutyl-3-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methyl]-2,2-dimethylcyclobutan-1-amine is CC1(C)[C@H](Cc2cc(-c3ccc(F)cc3)on2)C[C@@H]1NC1CCC1.
What is the InChIKey of trans-(1S,3S)-N-cyclobutyl-3-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methyl]-2,2-dimethylcyclobutan-1-amine?
The InChIKey is LFNVWURWEOOMNB-KUHUBIRLSA-N. The full InChI is InChI=1S/C20H25FN2O/c1-20(2)14(11-19(20)22-16-4-3-5-16)10-17-12-18(24-23-17)13-6-8-15(21)9-7-13/h6-9,12,14,16,19,22H,3-5,10-11H2,1-2H3/t14-,19+/m1/s1.
What are the key properties of trans-(1S,3S)-N-cyclobutyl-3-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methyl]-2,2-dimethylcyclobutan-1-amine?
trans-(1S,3S)-N-cyclobutyl-3-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methyl]-2,2-dimethylcyclobutan-1-amine has a molecular weight of 328.43 g/mol, XLogP of 4.58, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,3S)-N-cyclobutyl-3-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methyl]-2,2-dimethylcyclobutan-1-amine is sourced from PubChem (CID 56774060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).