N-[(5-fluoro-1,3-benzoxazol-2-yl)methyl]-1-(1,2,3,6-tetrahydropyridin-2-yl)methanamine

C14H16FN3O — CID 141430202

IUPACN-[(5-fluoro-1,3-benzoxazol-2-yl)methyl]-1-(1,2,3,6-tetrahydropyridin-2-yl)methanamine
SMILESFc1ccc2oc(CNCC3CC=CCN3)nc2c1
InChIInChI=1S/C14H16FN3O/c15-10-4-5-13-12(7-10)18-14(19-13)9-16-8-11-3-1-2-6-17-11/h1-2,4-5,7,11,16-17H,3,6,8-9H2
InChIKeyFVEJZWOGKDJXSE-UHFFFAOYSA-N
MW261.30 g/mol
LogP1.97
Rot. Bonds4

About N-[(5-fluoro-1,3-benzoxazol-2-yl)methyl]-1-(1,2,3,6-tetrahydropyridin-2-yl)methanamine

N-[(5-fluoro-1,3-benzoxazol-2-yl)methyl]-1-(1,2,3,6-tetrahydropyridin-2-yl)methanamine (PubChem CID 141430202) has the molecular formula C14H16FN3O and a molecular weight of 261.30 g/mol. Its IUPAC name is N-[(5-fluoro-1,3-benzoxazol-2-yl)methyl]-1-(1,2,3,6-tetrahydropyridin-2-yl)methanamine.

Molecular Properties

Compound NameN-[(5-fluoro-1,3-benzoxazol-2-yl)methyl]-1-(1,2,3,6-tetrahydropyridin-2-yl)methanamine
PubChem CID141430202
Molecular FormulaC14H16FN3O
Molecular Weight261.30 g/mol
Exact Mass261.13
IUPAC NameN-[(5-fluoro-1,3-benzoxazol-2-yl)methyl]-1-(1,2,3,6-tetrahydropyridin-2-yl)methanamine
SMILESFc1ccc2oc(CNCC3CC=CCN3)nc2c1
InChIInChI=1S/C14H16FN3O/c15-10-4-5-13-12(7-10)18-14(19-13)9-16-8-11-3-1-2-6-17-11/h1-2,4-5,7,11,16-17H,3,6,8-9H2
InChIKeyFVEJZWOGKDJXSE-UHFFFAOYSA-N
XLogP1.97
TPSA50.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.30
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze N-[(5-fluoro-1,3-benzoxazol-2-yl)methyl]-1-(1,2,3,6-tetrahydropyridin-2-yl)methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(5-fluoro-1,3-benzoxazol-2-yl)methyl]-1-(1,2,3,6-tetrahydropyridin-2-yl)methanamine?
The IUPAC name of N-[(5-fluoro-1,3-benzoxazol-2-yl)methyl]-1-(1,2,3,6-tetrahydropyridin-2-yl)methanamine (CID 141430202) is N-[(5-fluoro-1,3-benzoxazol-2-yl)methyl]-1-(1,2,3,6-tetrahydropyridin-2-yl)methanamine.
What is the SMILES notation for N-[(5-fluoro-1,3-benzoxazol-2-yl)methyl]-1-(1,2,3,6-tetrahydropyridin-2-yl)methanamine?
The canonical SMILES for N-[(5-fluoro-1,3-benzoxazol-2-yl)methyl]-1-(1,2,3,6-tetrahydropyridin-2-yl)methanamine is Fc1ccc2oc(CNCC3CC=CCN3)nc2c1.
What is the InChIKey of N-[(5-fluoro-1,3-benzoxazol-2-yl)methyl]-1-(1,2,3,6-tetrahydropyridin-2-yl)methanamine?
The InChIKey is FVEJZWOGKDJXSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FN3O/c15-10-4-5-13-12(7-10)18-14(19-13)9-16-8-11-3-1-2-6-17-11/h1-2,4-5,7,11,16-17H,3,6,8-9H2.
What are the key properties of N-[(5-fluoro-1,3-benzoxazol-2-yl)methyl]-1-(1,2,3,6-tetrahydropyridin-2-yl)methanamine?
N-[(5-fluoro-1,3-benzoxazol-2-yl)methyl]-1-(1,2,3,6-tetrahydropyridin-2-yl)methanamine has a molecular weight of 261.30 g/mol, XLogP of 1.97, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-fluoro-1,3-benzoxazol-2-yl)methyl]-1-(1,2,3,6-tetrahydropyridin-2-yl)methanamine is sourced from PubChem (CID 141430202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).