5-cyclobutyl-N-[(1S)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]-1,3,4-oxadiazol-2-amine

C16H18N6O — CID 97188157

IUPAC5-cyclobutyl-N-[(1S)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]-1,3,4-oxadiazol-2-amine
SMILESC[C@H](Nc1nnc(C2CCC2)o1)c1ccc(-n2cncn2)cc1
InChIInChI=1S/C16H18N6O/c1-11(19-16-21-20-15(23-16)13-3-2-4-13)12-5-7-14(8-6-12)22-10-17-9-18-22/h5-11,13H,2-4H2,1H3,(H,19,21)/t11-/m0/s1
InChIKeyKUJVPNCWCOKHLE-NSHDSACASA-N
MW310.36 g/mol
LogP3.09
Rot. Bonds5

About 5-cyclobutyl-N-[(1S)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]-1,3,4-oxadiazol-2-amine

5-cyclobutyl-N-[(1S)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]-1,3,4-oxadiazol-2-amine (PubChem CID 97188157) has the molecular formula C16H18N6O and a molecular weight of 310.36 g/mol. Its IUPAC name is 5-cyclobutyl-N-[(1S)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound Name5-cyclobutyl-N-[(1S)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]-1,3,4-oxadiazol-2-amine
PubChem CID97188157
Molecular FormulaC16H18N6O
Molecular Weight310.36 g/mol
Exact Mass310.15
IUPAC Name5-cyclobutyl-N-[(1S)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]-1,3,4-oxadiazol-2-amine
SMILESC[C@H](Nc1nnc(C2CCC2)o1)c1ccc(-n2cncn2)cc1
InChIInChI=1S/C16H18N6O/c1-11(19-16-21-20-15(23-16)13-3-2-4-13)12-5-7-14(8-6-12)22-10-17-9-18-22/h5-11,13H,2-4H2,1H3,(H,19,21)/t11-/m0/s1
InChIKeyKUJVPNCWCOKHLE-NSHDSACASA-N
XLogP3.09
TPSA81.66 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.36
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 5-cyclobutyl-N-[(1S)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]-1,3,4-oxadiazol-2-amine?
The IUPAC name of 5-cyclobutyl-N-[(1S)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]-1,3,4-oxadiazol-2-amine (CID 97188157) is 5-cyclobutyl-N-[(1S)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for 5-cyclobutyl-N-[(1S)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]-1,3,4-oxadiazol-2-amine?
The canonical SMILES for 5-cyclobutyl-N-[(1S)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]-1,3,4-oxadiazol-2-amine is C[C@H](Nc1nnc(C2CCC2)o1)c1ccc(-n2cncn2)cc1.
What is the InChIKey of 5-cyclobutyl-N-[(1S)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]-1,3,4-oxadiazol-2-amine?
The InChIKey is KUJVPNCWCOKHLE-NSHDSACASA-N. The full InChI is InChI=1S/C16H18N6O/c1-11(19-16-21-20-15(23-16)13-3-2-4-13)12-5-7-14(8-6-12)22-10-17-9-18-22/h5-11,13H,2-4H2,1H3,(H,19,21)/t11-/m0/s1.
What are the key properties of 5-cyclobutyl-N-[(1S)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]-1,3,4-oxadiazol-2-amine?
5-cyclobutyl-N-[(1S)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]-1,3,4-oxadiazol-2-amine has a molecular weight of 310.36 g/mol, XLogP of 3.09, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclobutyl-N-[(1S)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 97188157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).