N-[(1S,2S)-2-[(4-fluorophenyl)methyl]cyclopentyl]-5-methyl-1,3,4-oxadiazol-2-amine

C15H18FN3O — CID 72931255

IUPACN-[(1S,2S)-2-[(4-fluorophenyl)methyl]cyclopentyl]-5-methyl-1,3,4-oxadiazol-2-amine
SMILESCc1nnc(N[C@H]2CCC[C@H]2Cc2ccc(F)cc2)o1
InChIInChI=1S/C15H18FN3O/c1-10-18-19-15(20-10)17-14-4-2-3-12(14)9-11-5-7-13(16)8-6-11/h5-8,12,14H,2-4,9H2,1H3,(H,17,19)/t12-,14-/m0/s1
InChIKeyPUFWVEILDAMDOF-JSGCOSHPSA-N
MW275.33 g/mol
LogP3.34
Rot. Bonds4

About N-[(1S,2S)-2-[(4-fluorophenyl)methyl]cyclopentyl]-5-methyl-1,3,4-oxadiazol-2-amine

N-[(1S,2S)-2-[(4-fluorophenyl)methyl]cyclopentyl]-5-methyl-1,3,4-oxadiazol-2-amine (PubChem CID 72931255) has the molecular formula C15H18FN3O and a molecular weight of 275.33 g/mol. Its IUPAC name is N-[(1S,2S)-2-[(4-fluorophenyl)methyl]cyclopentyl]-5-methyl-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound NameN-[(1S,2S)-2-[(4-fluorophenyl)methyl]cyclopentyl]-5-methyl-1,3,4-oxadiazol-2-amine
PubChem CID72931255
Molecular FormulaC15H18FN3O
Molecular Weight275.33 g/mol
Exact Mass275.14
IUPAC NameN-[(1S,2S)-2-[(4-fluorophenyl)methyl]cyclopentyl]-5-methyl-1,3,4-oxadiazol-2-amine
SMILESCc1nnc(N[C@H]2CCC[C@H]2Cc2ccc(F)cc2)o1
InChIInChI=1S/C15H18FN3O/c1-10-18-19-15(20-10)17-14-4-2-3-12(14)9-11-5-7-13(16)8-6-11/h5-8,12,14H,2-4,9H2,1H3,(H,17,19)/t12-,14-/m0/s1
InChIKeyPUFWVEILDAMDOF-JSGCOSHPSA-N
XLogP3.34
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.33
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(1S,2S)-2-[(4-fluorophenyl)methyl]cyclopentyl]-5-methyl-1,3,4-oxadiazol-2-amine?
The IUPAC name of N-[(1S,2S)-2-[(4-fluorophenyl)methyl]cyclopentyl]-5-methyl-1,3,4-oxadiazol-2-amine (CID 72931255) is N-[(1S,2S)-2-[(4-fluorophenyl)methyl]cyclopentyl]-5-methyl-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for N-[(1S,2S)-2-[(4-fluorophenyl)methyl]cyclopentyl]-5-methyl-1,3,4-oxadiazol-2-amine?
The canonical SMILES for N-[(1S,2S)-2-[(4-fluorophenyl)methyl]cyclopentyl]-5-methyl-1,3,4-oxadiazol-2-amine is Cc1nnc(N[C@H]2CCC[C@H]2Cc2ccc(F)cc2)o1.
What is the InChIKey of N-[(1S,2S)-2-[(4-fluorophenyl)methyl]cyclopentyl]-5-methyl-1,3,4-oxadiazol-2-amine?
The InChIKey is PUFWVEILDAMDOF-JSGCOSHPSA-N. The full InChI is InChI=1S/C15H18FN3O/c1-10-18-19-15(20-10)17-14-4-2-3-12(14)9-11-5-7-13(16)8-6-11/h5-8,12,14H,2-4,9H2,1H3,(H,17,19)/t12-,14-/m0/s1.
What are the key properties of N-[(1S,2S)-2-[(4-fluorophenyl)methyl]cyclopentyl]-5-methyl-1,3,4-oxadiazol-2-amine?
N-[(1S,2S)-2-[(4-fluorophenyl)methyl]cyclopentyl]-5-methyl-1,3,4-oxadiazol-2-amine has a molecular weight of 275.33 g/mol, XLogP of 3.34, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,2S)-2-[(4-fluorophenyl)methyl]cyclopentyl]-5-methyl-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 72931255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).