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

C20H20FN3OS — CID 120851652

IUPAC1-[5-[(4-fluorophenyl)sulfanyl-phenylmethyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine
SMILESNC1(c2noc(C(Sc3ccc(F)cc3)c3ccccc3)n2)CCCC1
InChIInChI=1S/C20H20FN3OS/c21-15-8-10-16(11-9-15)26-17(14-6-2-1-3-7-14)18-23-19(24-25-18)20(22)12-4-5-13-20/h1-3,6-11,17H,4-5,12-13,22H2
InChIKeyPEXQRUVVQAQTEI-UHFFFAOYSA-N
MW369.47 g/mol
LogP4.82
Rot. Bonds5

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

1-[5-[(4-fluorophenyl)sulfanyl-phenylmethyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine (PubChem CID 120851652) has the molecular formula C20H20FN3OS and a molecular weight of 369.47 g/mol. Its IUPAC name is 1-[5-[(4-fluorophenyl)sulfanyl-phenylmethyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine.

Molecular Properties

Compound Name1-[5-[(4-fluorophenyl)sulfanyl-phenylmethyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine
PubChem CID120851652
Molecular FormulaC20H20FN3OS
Molecular Weight369.47 g/mol
Exact Mass369.13
IUPAC Name1-[5-[(4-fluorophenyl)sulfanyl-phenylmethyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine
SMILESNC1(c2noc(C(Sc3ccc(F)cc3)c3ccccc3)n2)CCCC1
InChIInChI=1S/C20H20FN3OS/c21-15-8-10-16(11-9-15)26-17(14-6-2-1-3-7-14)18-23-19(24-25-18)20(22)12-4-5-13-20/h1-3,6-11,17H,4-5,12-13,22H2
InChIKeyPEXQRUVVQAQTEI-UHFFFAOYSA-N
XLogP4.82
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.47
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[5-[(4-fluorophenyl)sulfanyl-phenylmethyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine?
The IUPAC name of 1-[5-[(4-fluorophenyl)sulfanyl-phenylmethyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine (CID 120851652) is 1-[5-[(4-fluorophenyl)sulfanyl-phenylmethyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine.
What is the SMILES notation for 1-[5-[(4-fluorophenyl)sulfanyl-phenylmethyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine?
The canonical SMILES for 1-[5-[(4-fluorophenyl)sulfanyl-phenylmethyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine is NC1(c2noc(C(Sc3ccc(F)cc3)c3ccccc3)n2)CCCC1.
What is the InChIKey of 1-[5-[(4-fluorophenyl)sulfanyl-phenylmethyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine?
The InChIKey is PEXQRUVVQAQTEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FN3OS/c21-15-8-10-16(11-9-15)26-17(14-6-2-1-3-7-14)18-23-19(24-25-18)20(22)12-4-5-13-20/h1-3,6-11,17H,4-5,12-13,22H2.
What are the key properties of 1-[5-[(4-fluorophenyl)sulfanyl-phenylmethyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine?
1-[5-[(4-fluorophenyl)sulfanyl-phenylmethyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine has a molecular weight of 369.47 g/mol, XLogP of 4.82, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[(4-fluorophenyl)sulfanyl-phenylmethyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine is sourced from PubChem (CID 120851652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).