5-cyclobutyl-N-[(1R)-1-(4-fluorophenyl)ethyl]-1,3,4-oxadiazol-2-amine

C14H16FN3O — CID 97210352

IUPAC5-cyclobutyl-N-[(1R)-1-(4-fluorophenyl)ethyl]-1,3,4-oxadiazol-2-amine
SMILESC[C@@H](Nc1nnc(C2CCC2)o1)c1ccc(F)cc1
InChIInChI=1S/C14H16FN3O/c1-9(10-5-7-12(15)8-6-10)16-14-18-17-13(19-14)11-3-2-4-11/h5-9,11H,2-4H2,1H3,(H,16,18)/t9-/m1/s1
InChIKeyQESDNPCTMCVIOC-SECBINFHSA-N
MW261.30 g/mol
LogP3.65
Rot. Bonds4

About 5-cyclobutyl-N-[(1R)-1-(4-fluorophenyl)ethyl]-1,3,4-oxadiazol-2-amine

5-cyclobutyl-N-[(1R)-1-(4-fluorophenyl)ethyl]-1,3,4-oxadiazol-2-amine (PubChem CID 97210352) has the molecular formula C14H16FN3O and a molecular weight of 261.30 g/mol. Its IUPAC name is 5-cyclobutyl-N-[(1R)-1-(4-fluorophenyl)ethyl]-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound Name5-cyclobutyl-N-[(1R)-1-(4-fluorophenyl)ethyl]-1,3,4-oxadiazol-2-amine
PubChem CID97210352
Molecular FormulaC14H16FN3O
Molecular Weight261.30 g/mol
Exact Mass261.13
IUPAC Name5-cyclobutyl-N-[(1R)-1-(4-fluorophenyl)ethyl]-1,3,4-oxadiazol-2-amine
SMILESC[C@@H](Nc1nnc(C2CCC2)o1)c1ccc(F)cc1
InChIInChI=1S/C14H16FN3O/c1-9(10-5-7-12(15)8-6-10)16-14-18-17-13(19-14)11-3-2-4-11/h5-9,11H,2-4H2,1H3,(H,16,18)/t9-/m1/s1
InChIKeyQESDNPCTMCVIOC-SECBINFHSA-N
XLogP3.65
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.30
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-cyclobutyl-N-[(1S)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]-1,3,4-oxadiazol-2-amine
CID 97188157
5-[(dimethylamino)methyl]-N-[1-(4-fluorophenyl)ethyl]-1,3,4-oxadiazol-2-amine
CID 137342888
5-(ethylaminomethyl)-N-[1-(4-fluorophenyl)ethyl]-1,3,4-oxadiazol-2-amine
CID 106970455
5-cyclopropyl-N-[(3S)-3-(4-fluorophenyl)-3-(furan-2-yl)propyl]-1,3,4-oxadiazol-2-amine
CID 97137063
5-cyclohexyl-N-[(1R)-1-[4-(6-fluoroquinolin-4-yl)cyclohexyl]ethyl]-1,3,4-oxadiazol-2-amine
CID 134284300
N-[1-(4-bromophenyl)ethyl]-5-methyl-1,3,4-oxadiazol-2-amine
CID 167862956
N-(2-cyclobutylethyl)-1-(4-fluorophenyl)ethanamine
CID 115688583
5-cyclobutyl-N-[(1S)-2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]-1,3,4-oxadiazol-2-amine
CID 97188149
N-(5-cyclohexyl-1,3,4-oxadiazol-2-yl)-2-methylpropanamide
CID 16820583
5-cyclobutyl-N-[(2-methoxyphenyl)methyl]-1,3,4-oxadiazol-2-amine
CID 72880115
N-[1-(4-fluorophenyl)ethyl]-2-piperidin-3-yl-1,3-oxazole-4-carboxamide
CID 3871368
3-[[(1S)-1-(4-fluorophenyl)ethyl]amino]azepan-2-one
CID 81347826

Frequently Asked Questions

What is the IUPAC name of 5-cyclobutyl-N-[(1R)-1-(4-fluorophenyl)ethyl]-1,3,4-oxadiazol-2-amine?
The IUPAC name of 5-cyclobutyl-N-[(1R)-1-(4-fluorophenyl)ethyl]-1,3,4-oxadiazol-2-amine (CID 97210352) is 5-cyclobutyl-N-[(1R)-1-(4-fluorophenyl)ethyl]-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for 5-cyclobutyl-N-[(1R)-1-(4-fluorophenyl)ethyl]-1,3,4-oxadiazol-2-amine?
The canonical SMILES for 5-cyclobutyl-N-[(1R)-1-(4-fluorophenyl)ethyl]-1,3,4-oxadiazol-2-amine is C[C@@H](Nc1nnc(C2CCC2)o1)c1ccc(F)cc1.
What is the InChIKey of 5-cyclobutyl-N-[(1R)-1-(4-fluorophenyl)ethyl]-1,3,4-oxadiazol-2-amine?
The InChIKey is QESDNPCTMCVIOC-SECBINFHSA-N. The full InChI is InChI=1S/C14H16FN3O/c1-9(10-5-7-12(15)8-6-10)16-14-18-17-13(19-14)11-3-2-4-11/h5-9,11H,2-4H2,1H3,(H,16,18)/t9-/m1/s1.
What are the key properties of 5-cyclobutyl-N-[(1R)-1-(4-fluorophenyl)ethyl]-1,3,4-oxadiazol-2-amine?
5-cyclobutyl-N-[(1R)-1-(4-fluorophenyl)ethyl]-1,3,4-oxadiazol-2-amine has a molecular weight of 261.30 g/mol, XLogP of 3.65, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclobutyl-N-[(1R)-1-(4-fluorophenyl)ethyl]-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 97210352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).