1-[5-[(3,4-difluorophenoxy)-phenylmethyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine

C20H19F2N3O2 — CID 120851660

IUPAC1-[5-[(3,4-difluorophenoxy)-phenylmethyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine
SMILESNC1(c2noc(C(Oc3ccc(F)c(F)c3)c3ccccc3)n2)CCCC1
InChIInChI=1S/C20H19F2N3O2/c21-15-9-8-14(12-16(15)22)26-17(13-6-2-1-3-7-13)18-24-19(25-27-18)20(23)10-4-5-11-20/h1-3,6-9,12,17H,4-5,10-11,23H2
InChIKeyWTTVWAQHTSFDTD-UHFFFAOYSA-N
MW371.39 g/mol
LogP4.24
Rot. Bonds5

About 1-[5-[(3,4-difluorophenoxy)-phenylmethyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine

1-[5-[(3,4-difluorophenoxy)-phenylmethyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine (PubChem CID 120851660) has the molecular formula C20H19F2N3O2 and a molecular weight of 371.39 g/mol. Its IUPAC name is 1-[5-[(3,4-difluorophenoxy)-phenylmethyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine.

Molecular Properties

Compound Name1-[5-[(3,4-difluorophenoxy)-phenylmethyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine
PubChem CID120851660
Molecular FormulaC20H19F2N3O2
Molecular Weight371.39 g/mol
Exact Mass371.14
IUPAC Name1-[5-[(3,4-difluorophenoxy)-phenylmethyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine
SMILESNC1(c2noc(C(Oc3ccc(F)c(F)c3)c3ccccc3)n2)CCCC1
InChIInChI=1S/C20H19F2N3O2/c21-15-9-8-14(12-16(15)22)26-17(13-6-2-1-3-7-13)18-24-19(25-27-18)20(23)10-4-5-11-20/h1-3,6-9,12,17H,4-5,10-11,23H2
InChIKeyWTTVWAQHTSFDTD-UHFFFAOYSA-N
XLogP4.24
TPSA74.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.39
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[5-[(3,4-difluorophenoxy)-phenylmethyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine 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 1-[5-[(3,4-difluorophenoxy)-phenylmethyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine?
The IUPAC name of 1-[5-[(3,4-difluorophenoxy)-phenylmethyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine (CID 120851660) is 1-[5-[(3,4-difluorophenoxy)-phenylmethyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine.
What is the SMILES notation for 1-[5-[(3,4-difluorophenoxy)-phenylmethyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine?
The canonical SMILES for 1-[5-[(3,4-difluorophenoxy)-phenylmethyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine is NC1(c2noc(C(Oc3ccc(F)c(F)c3)c3ccccc3)n2)CCCC1.
What is the InChIKey of 1-[5-[(3,4-difluorophenoxy)-phenylmethyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine?
The InChIKey is WTTVWAQHTSFDTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F2N3O2/c21-15-9-8-14(12-16(15)22)26-17(13-6-2-1-3-7-13)18-24-19(25-27-18)20(23)10-4-5-11-20/h1-3,6-9,12,17H,4-5,10-11,23H2.
What are the key properties of 1-[5-[(3,4-difluorophenoxy)-phenylmethyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine?
1-[5-[(3,4-difluorophenoxy)-phenylmethyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine has a molecular weight of 371.39 g/mol, XLogP of 4.24, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[(3,4-difluorophenoxy)-phenylmethyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine is sourced from PubChem (CID 120851660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).