(1R)-N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-1-(4-fluorophenyl)-1-thiophen-2-ylmethanamine

C17H16FN3OS — CID 97222710

IUPAC(1R)-N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-1-(4-fluorophenyl)-1-thiophen-2-ylmethanamine
SMILESFc1ccc([C@@H](NCc2noc(C3CC3)n2)c2cccs2)cc1
InChIInChI=1S/C17H16FN3OS/c18-13-7-5-11(6-8-13)16(14-2-1-9-23-14)19-10-15-20-17(22-21-15)12-3-4-12/h1-2,5-9,12,16,19H,3-4,10H2/t16-/m1/s1
InChIKeyKIRZXWGJFIKAFU-MRXNPFEDSA-N
MW329.40 g/mol
LogP4.03
Rot. Bonds6

About (1R)-N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-1-(4-fluorophenyl)-1-thiophen-2-ylmethanamine

(1R)-N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-1-(4-fluorophenyl)-1-thiophen-2-ylmethanamine (PubChem CID 97222710) has the molecular formula C17H16FN3OS and a molecular weight of 329.40 g/mol. Its IUPAC name is (1R)-N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-1-(4-fluorophenyl)-1-thiophen-2-ylmethanamine.

Molecular Properties

Compound Name(1R)-N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-1-(4-fluorophenyl)-1-thiophen-2-ylmethanamine
PubChem CID97222710
Molecular FormulaC17H16FN3OS
Molecular Weight329.40 g/mol
Exact Mass329.10
IUPAC Name(1R)-N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-1-(4-fluorophenyl)-1-thiophen-2-ylmethanamine
SMILESFc1ccc([C@@H](NCc2noc(C3CC3)n2)c2cccs2)cc1
InChIInChI=1S/C17H16FN3OS/c18-13-7-5-11(6-8-13)16(14-2-1-9-23-14)19-10-15-20-17(22-21-15)12-3-4-12/h1-2,5-9,12,16,19H,3-4,10H2/t16-/m1/s1
InChIKeyKIRZXWGJFIKAFU-MRXNPFEDSA-N
XLogP4.03
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (1R)-N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-1-(4-fluorophenyl)-1-thiophen-2-ylmethanamine?
The IUPAC name of (1R)-N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-1-(4-fluorophenyl)-1-thiophen-2-ylmethanamine (CID 97222710) is (1R)-N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-1-(4-fluorophenyl)-1-thiophen-2-ylmethanamine.
What is the SMILES notation for (1R)-N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-1-(4-fluorophenyl)-1-thiophen-2-ylmethanamine?
The canonical SMILES for (1R)-N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-1-(4-fluorophenyl)-1-thiophen-2-ylmethanamine is Fc1ccc([C@@H](NCc2noc(C3CC3)n2)c2cccs2)cc1.
What is the InChIKey of (1R)-N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-1-(4-fluorophenyl)-1-thiophen-2-ylmethanamine?
The InChIKey is KIRZXWGJFIKAFU-MRXNPFEDSA-N. The full InChI is InChI=1S/C17H16FN3OS/c18-13-7-5-11(6-8-13)16(14-2-1-9-23-14)19-10-15-20-17(22-21-15)12-3-4-12/h1-2,5-9,12,16,19H,3-4,10H2/t16-/m1/s1.
What are the key properties of (1R)-N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-1-(4-fluorophenyl)-1-thiophen-2-ylmethanamine?
(1R)-N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-1-(4-fluorophenyl)-1-thiophen-2-ylmethanamine has a molecular weight of 329.40 g/mol, XLogP of 4.03, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-1-(4-fluorophenyl)-1-thiophen-2-ylmethanamine is sourced from PubChem (CID 97222710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).