N-[[1-(3-fluoro-2-pyridinyl)cyclobutyl]methyl]-4-phenyl-1,3-oxazol-2-amine

C19H18FN3O — CID 70975091

IUPACN-[[1-(3-fluoro-2-pyridinyl)cyclobutyl]methyl]-4-phenyl-1,3-oxazol-2-amine
SMILESFc1cccnc1C1(CNc2nc(-c3ccccc3)co2)CCC1
InChIInChI=1S/C19H18FN3O/c20-15-8-4-11-21-17(15)19(9-5-10-19)13-22-18-23-16(12-24-18)14-6-2-1-3-7-14/h1-4,6-8,11-12H,5,9-10,13H2,(H,22,23)
InChIKeyNSTHVNOSDBDGNQ-UHFFFAOYSA-N
MW323.37 g/mol
LogP4.41
Rot. Bonds5

About N-[[1-(3-fluoro-2-pyridinyl)cyclobutyl]methyl]-4-phenyl-1,3-oxazol-2-amine

N-[[1-(3-fluoro-2-pyridinyl)cyclobutyl]methyl]-4-phenyl-1,3-oxazol-2-amine (PubChem CID 70975091) has the molecular formula C19H18FN3O and a molecular weight of 323.37 g/mol. Its IUPAC name is N-[[1-(3-fluoro-2-pyridinyl)cyclobutyl]methyl]-4-phenyl-1,3-oxazol-2-amine.

Molecular Properties

Compound NameN-[[1-(3-fluoro-2-pyridinyl)cyclobutyl]methyl]-4-phenyl-1,3-oxazol-2-amine
PubChem CID70975091
Molecular FormulaC19H18FN3O
Molecular Weight323.37 g/mol
Exact Mass323.14
IUPAC NameN-[[1-(3-fluoro-2-pyridinyl)cyclobutyl]methyl]-4-phenyl-1,3-oxazol-2-amine
SMILESFc1cccnc1C1(CNc2nc(-c3ccccc3)co2)CCC1
InChIInChI=1S/C19H18FN3O/c20-15-8-4-11-21-17(15)19(9-5-10-19)13-22-18-23-16(12-24-18)14-6-2-1-3-7-14/h1-4,6-8,11-12H,5,9-10,13H2,(H,22,23)
InChIKeyNSTHVNOSDBDGNQ-UHFFFAOYSA-N
XLogP4.41
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.37
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(3-fluoro-2-pyridinyl)cyclobutyl]methyl]-4-phenyl-1,3-oxazol-2-amine?
The IUPAC name of N-[[1-(3-fluoro-2-pyridinyl)cyclobutyl]methyl]-4-phenyl-1,3-oxazol-2-amine (CID 70975091) is N-[[1-(3-fluoro-2-pyridinyl)cyclobutyl]methyl]-4-phenyl-1,3-oxazol-2-amine.
What is the SMILES notation for N-[[1-(3-fluoro-2-pyridinyl)cyclobutyl]methyl]-4-phenyl-1,3-oxazol-2-amine?
The canonical SMILES for N-[[1-(3-fluoro-2-pyridinyl)cyclobutyl]methyl]-4-phenyl-1,3-oxazol-2-amine is Fc1cccnc1C1(CNc2nc(-c3ccccc3)co2)CCC1.
What is the InChIKey of N-[[1-(3-fluoro-2-pyridinyl)cyclobutyl]methyl]-4-phenyl-1,3-oxazol-2-amine?
The InChIKey is NSTHVNOSDBDGNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN3O/c20-15-8-4-11-21-17(15)19(9-5-10-19)13-22-18-23-16(12-24-18)14-6-2-1-3-7-14/h1-4,6-8,11-12H,5,9-10,13H2,(H,22,23).
What are the key properties of N-[[1-(3-fluoro-2-pyridinyl)cyclobutyl]methyl]-4-phenyl-1,3-oxazol-2-amine?
N-[[1-(3-fluoro-2-pyridinyl)cyclobutyl]methyl]-4-phenyl-1,3-oxazol-2-amine has a molecular weight of 323.37 g/mol, XLogP of 4.41, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(3-fluoro-2-pyridinyl)cyclobutyl]methyl]-4-phenyl-1,3-oxazol-2-amine is sourced from PubChem (CID 70975091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).