N-[(3-chloro-2-fluorophenyl)methyl]-1-(3-methyl-1,2,4-oxadiazol-5-yl)-1-(oxan-4-yl)methanamine

C16H19ClFN3O2 — CID 128976686

IUPACN-[(3-chloro-2-fluorophenyl)methyl]-1-(3-methyl-1,2,4-oxadiazol-5-yl)-1-(oxan-4-yl)methanamine
SMILESCc1noc(C(NCc2cccc(Cl)c2F)C2CCOCC2)n1
InChIInChI=1S/C16H19ClFN3O2/c1-10-20-16(23-21-10)15(11-5-7-22-8-6-11)19-9-12-3-2-4-13(17)14(12)18/h2-4,11,15,19H,5-9H2,1H3
InChIKeyNQLPUAHRSIZUGQ-UHFFFAOYSA-N
MW339.80 g/mol
LogP3.43
Rot. Bonds5

About N-[(3-chloro-2-fluorophenyl)methyl]-1-(3-methyl-1,2,4-oxadiazol-5-yl)-1-(oxan-4-yl)methanamine

N-[(3-chloro-2-fluorophenyl)methyl]-1-(3-methyl-1,2,4-oxadiazol-5-yl)-1-(oxan-4-yl)methanamine (PubChem CID 128976686) has the molecular formula C16H19ClFN3O2 and a molecular weight of 339.80 g/mol. Its IUPAC name is N-[(3-chloro-2-fluorophenyl)methyl]-1-(3-methyl-1,2,4-oxadiazol-5-yl)-1-(oxan-4-yl)methanamine.

Molecular Properties

Compound NameN-[(3-chloro-2-fluorophenyl)methyl]-1-(3-methyl-1,2,4-oxadiazol-5-yl)-1-(oxan-4-yl)methanamine
PubChem CID128976686
Molecular FormulaC16H19ClFN3O2
Molecular Weight339.80 g/mol
Exact Mass339.11
IUPAC NameN-[(3-chloro-2-fluorophenyl)methyl]-1-(3-methyl-1,2,4-oxadiazol-5-yl)-1-(oxan-4-yl)methanamine
SMILESCc1noc(C(NCc2cccc(Cl)c2F)C2CCOCC2)n1
InChIInChI=1S/C16H19ClFN3O2/c1-10-20-16(23-21-10)15(11-5-7-22-8-6-11)19-9-12-3-2-4-13(17)14(12)18/h2-4,11,15,19H,5-9H2,1H3
InChIKeyNQLPUAHRSIZUGQ-UHFFFAOYSA-N
XLogP3.43
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.80
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[(3-chloro-2-fluorophenyl)methyl]-1-(3-methyl-1,2,4-oxadiazol-5-yl)-1-(oxan-4-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

Related Compounds

N-(1,3-benzodioxol-4-ylmethyl)-1-(3-methyl-1,2,4-oxadiazol-5-yl)-1-(oxan-4-yl)methanamine
CID 128972081
(1R)-N-[[5-[(1S,2R)-2-methylcyclopropyl]furan-2-yl]methyl]-1-(3-methyl-1,2,4-oxadiazol-5-yl)-1-(oxan-4-yl)methanamine
CID 129336640
(2R)-2-[4-[[[(R)-(3-methyl-1,2,4-oxadiazol-5-yl)-(oxan-4-yl)methyl]amino]methyl]phenoxy]propanenitrile
CID 129329577
N-[(3-chloro-2-fluorophenyl)methyl]-3-methyl-1,2,4-oxadiazol-5-amine
CID 91636185
2-(4-fluorophenyl)-N-[(R)-(3-methyl-1,2,4-oxadiazol-5-yl)-(oxan-4-yl)methyl]acetamide
CID 129327822
[2-(3-chloro-2-fluorophenyl)-1-(oxan-4-yl)ethyl]hydrazine
CID 105264342
3-ethyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)-(oxan-4-yl)methyl]thiophene-2-carboxamide
CID 128966227
2-(3-chloro-2-fluorophenyl)-N-methyl-1-(oxolan-3-yl)ethanamine
CID 82806276
7-chloro-N-[(3-methyl-1,2,4-oxadiazol-5-yl)-(oxan-4-yl)methyl]quinazolin-4-amine
CID 128972809
N-[(3-methyl-1,2,4-oxadiazol-5-yl)-(oxan-4-yl)methyl]-1-phenylpiperidin-4-amine
CID 128982422
N-[(3-chloro-2-fluorophenyl)methyl]-1-(5-methyl-1,3-oxazol-2-yl)ethanamine
CID 103893749
6,7-difluoro-N-[(R)-(3-methyl-1,2,4-oxadiazol-5-yl)-(oxan-4-yl)methyl]quinazolin-4-amine
CID 129326566

Frequently Asked Questions

What is the IUPAC name of N-[(3-chloro-2-fluorophenyl)methyl]-1-(3-methyl-1,2,4-oxadiazol-5-yl)-1-(oxan-4-yl)methanamine?
The IUPAC name of N-[(3-chloro-2-fluorophenyl)methyl]-1-(3-methyl-1,2,4-oxadiazol-5-yl)-1-(oxan-4-yl)methanamine (CID 128976686) is N-[(3-chloro-2-fluorophenyl)methyl]-1-(3-methyl-1,2,4-oxadiazol-5-yl)-1-(oxan-4-yl)methanamine.
What is the SMILES notation for N-[(3-chloro-2-fluorophenyl)methyl]-1-(3-methyl-1,2,4-oxadiazol-5-yl)-1-(oxan-4-yl)methanamine?
The canonical SMILES for N-[(3-chloro-2-fluorophenyl)methyl]-1-(3-methyl-1,2,4-oxadiazol-5-yl)-1-(oxan-4-yl)methanamine is Cc1noc(C(NCc2cccc(Cl)c2F)C2CCOCC2)n1.
What is the InChIKey of N-[(3-chloro-2-fluorophenyl)methyl]-1-(3-methyl-1,2,4-oxadiazol-5-yl)-1-(oxan-4-yl)methanamine?
The InChIKey is NQLPUAHRSIZUGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClFN3O2/c1-10-20-16(23-21-10)15(11-5-7-22-8-6-11)19-9-12-3-2-4-13(17)14(12)18/h2-4,11,15,19H,5-9H2,1H3.
What are the key properties of N-[(3-chloro-2-fluorophenyl)methyl]-1-(3-methyl-1,2,4-oxadiazol-5-yl)-1-(oxan-4-yl)methanamine?
N-[(3-chloro-2-fluorophenyl)methyl]-1-(3-methyl-1,2,4-oxadiazol-5-yl)-1-(oxan-4-yl)methanamine has a molecular weight of 339.80 g/mol, XLogP of 3.43, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chloro-2-fluorophenyl)methyl]-1-(3-methyl-1,2,4-oxadiazol-5-yl)-1-(oxan-4-yl)methanamine is sourced from PubChem (CID 128976686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).