N-cyclopropyl-3-[(3-fluorophenyl)sulfanylmethyl]-1,2,4-oxadiazol-5-amine

C12H12FN3OS — CID 66070877

IUPACN-cyclopropyl-3-[(3-fluorophenyl)sulfanylmethyl]-1,2,4-oxadiazol-5-amine
SMILESFc1cccc(SCc2noc(NC3CC3)n2)c1
InChIInChI=1S/C12H12FN3OS/c13-8-2-1-3-10(6-8)18-7-11-15-12(17-16-11)14-9-4-5-9/h1-3,6,9H,4-5,7H2,(H,14,15,16)
InChIKeyAQRIVEMDMUTKAP-UHFFFAOYSA-N
MW265.31 g/mol
LogP3.08
Rot. Bonds5

About N-cyclopropyl-3-[(3-fluorophenyl)sulfanylmethyl]-1,2,4-oxadiazol-5-amine

N-cyclopropyl-3-[(3-fluorophenyl)sulfanylmethyl]-1,2,4-oxadiazol-5-amine (PubChem CID 66070877) has the molecular formula C12H12FN3OS and a molecular weight of 265.31 g/mol. Its IUPAC name is N-cyclopropyl-3-[(3-fluorophenyl)sulfanylmethyl]-1,2,4-oxadiazol-5-amine.

Molecular Properties

Compound NameN-cyclopropyl-3-[(3-fluorophenyl)sulfanylmethyl]-1,2,4-oxadiazol-5-amine
PubChem CID66070877
Molecular FormulaC12H12FN3OS
Molecular Weight265.31 g/mol
Exact Mass265.07
IUPAC NameN-cyclopropyl-3-[(3-fluorophenyl)sulfanylmethyl]-1,2,4-oxadiazol-5-amine
SMILESFc1cccc(SCc2noc(NC3CC3)n2)c1
InChIInChI=1S/C12H12FN3OS/c13-8-2-1-3-10(6-8)18-7-11-15-12(17-16-11)14-9-4-5-9/h1-3,6,9H,4-5,7H2,(H,14,15,16)
InChIKeyAQRIVEMDMUTKAP-UHFFFAOYSA-N
XLogP3.08
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-3-[(3-fluorophenyl)sulfanylmethyl]-1,2,4-oxadiazol-5-amine?
The IUPAC name of N-cyclopropyl-3-[(3-fluorophenyl)sulfanylmethyl]-1,2,4-oxadiazol-5-amine (CID 66070877) is N-cyclopropyl-3-[(3-fluorophenyl)sulfanylmethyl]-1,2,4-oxadiazol-5-amine.
What is the SMILES notation for N-cyclopropyl-3-[(3-fluorophenyl)sulfanylmethyl]-1,2,4-oxadiazol-5-amine?
The canonical SMILES for N-cyclopropyl-3-[(3-fluorophenyl)sulfanylmethyl]-1,2,4-oxadiazol-5-amine is Fc1cccc(SCc2noc(NC3CC3)n2)c1.
What is the InChIKey of N-cyclopropyl-3-[(3-fluorophenyl)sulfanylmethyl]-1,2,4-oxadiazol-5-amine?
The InChIKey is AQRIVEMDMUTKAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12FN3OS/c13-8-2-1-3-10(6-8)18-7-11-15-12(17-16-11)14-9-4-5-9/h1-3,6,9H,4-5,7H2,(H,14,15,16).
What are the key properties of N-cyclopropyl-3-[(3-fluorophenyl)sulfanylmethyl]-1,2,4-oxadiazol-5-amine?
N-cyclopropyl-3-[(3-fluorophenyl)sulfanylmethyl]-1,2,4-oxadiazol-5-amine has a molecular weight of 265.31 g/mol, XLogP of 3.08, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-3-[(3-fluorophenyl)sulfanylmethyl]-1,2,4-oxadiazol-5-amine is sourced from PubChem (CID 66070877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).