N-[(1S)-1-(3-fluorophenyl)ethyl]-5-(1H-indazol-5-yl)-1,3,4-oxadiazol-2-amine

C17H14FN5O — CID 25109065

IUPACN-[(1S)-1-(3-fluorophenyl)ethyl]-5-(1H-indazol-5-yl)-1,3,4-oxadiazol-2-amine
SMILESC[C@H](Nc1nnc(-c2ccc3[nH]ncc3c2)o1)c1cccc(F)c1
InChIInChI=1S/C17H14FN5O/c1-10(11-3-2-4-14(18)8-11)20-17-23-22-16(24-17)12-5-6-15-13(7-12)9-19-21-15/h2-10H,1H3,(H,19,21)(H,20,23)/t10-/m0/s1
InChIKeyXBDKFPXKSFQJBJ-JTQLQIEISA-N
MW323.33 g/mol
LogP3.93
Rot. Bonds4

About N-[(1S)-1-(3-fluorophenyl)ethyl]-5-(1H-indazol-5-yl)-1,3,4-oxadiazol-2-amine

N-[(1S)-1-(3-fluorophenyl)ethyl]-5-(1H-indazol-5-yl)-1,3,4-oxadiazol-2-amine (PubChem CID 25109065) has the molecular formula C17H14FN5O and a molecular weight of 323.33 g/mol. Its IUPAC name is N-[(1S)-1-(3-fluorophenyl)ethyl]-5-(1H-indazol-5-yl)-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound NameN-[(1S)-1-(3-fluorophenyl)ethyl]-5-(1H-indazol-5-yl)-1,3,4-oxadiazol-2-amine
PubChem CID25109065
Molecular FormulaC17H14FN5O
Molecular Weight323.33 g/mol
Exact Mass323.12
IUPAC NameN-[(1S)-1-(3-fluorophenyl)ethyl]-5-(1H-indazol-5-yl)-1,3,4-oxadiazol-2-amine
SMILESC[C@H](Nc1nnc(-c2ccc3[nH]ncc3c2)o1)c1cccc(F)c1
InChIInChI=1S/C17H14FN5O/c1-10(11-3-2-4-14(18)8-11)20-17-23-22-16(24-17)12-5-6-15-13(7-12)9-19-21-15/h2-10H,1H3,(H,19,21)(H,20,23)/t10-/m0/s1
InChIKeyXBDKFPXKSFQJBJ-JTQLQIEISA-N
XLogP3.93
TPSA79.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.33
LogP ≤ 53.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 156494036
CID 156494036
CID 156494443
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CID 25108871
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CID 25108932
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CID 25108936
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CID 25108937

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(3-fluorophenyl)ethyl]-5-(1H-indazol-5-yl)-1,3,4-oxadiazol-2-amine?
The IUPAC name of N-[(1S)-1-(3-fluorophenyl)ethyl]-5-(1H-indazol-5-yl)-1,3,4-oxadiazol-2-amine (CID 25109065) is N-[(1S)-1-(3-fluorophenyl)ethyl]-5-(1H-indazol-5-yl)-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for N-[(1S)-1-(3-fluorophenyl)ethyl]-5-(1H-indazol-5-yl)-1,3,4-oxadiazol-2-amine?
The canonical SMILES for N-[(1S)-1-(3-fluorophenyl)ethyl]-5-(1H-indazol-5-yl)-1,3,4-oxadiazol-2-amine is C[C@H](Nc1nnc(-c2ccc3[nH]ncc3c2)o1)c1cccc(F)c1.
What is the InChIKey of N-[(1S)-1-(3-fluorophenyl)ethyl]-5-(1H-indazol-5-yl)-1,3,4-oxadiazol-2-amine?
The InChIKey is XBDKFPXKSFQJBJ-JTQLQIEISA-N. The full InChI is InChI=1S/C17H14FN5O/c1-10(11-3-2-4-14(18)8-11)20-17-23-22-16(24-17)12-5-6-15-13(7-12)9-19-21-15/h2-10H,1H3,(H,19,21)(H,20,23)/t10-/m0/s1.
What are the key properties of N-[(1S)-1-(3-fluorophenyl)ethyl]-5-(1H-indazol-5-yl)-1,3,4-oxadiazol-2-amine?
N-[(1S)-1-(3-fluorophenyl)ethyl]-5-(1H-indazol-5-yl)-1,3,4-oxadiazol-2-amine has a molecular weight of 323.33 g/mol, XLogP of 3.93, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(3-fluorophenyl)ethyl]-5-(1H-indazol-5-yl)-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 25109065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).