N-benzyl-5-(1H-indazol-5-yl)-1,3,4-oxadiazol-2-amine

C16H13N5O — CID 25108998

IUPACN-benzyl-5-(1H-indazol-5-yl)-1,3,4-oxadiazol-2-amine
SMILESc1ccc(CNc2nnc(-c3ccc4[nH]ncc4c3)o2)cc1
InChIInChI=1S/C16H13N5O/c1-2-4-11(5-3-1)9-17-16-21-20-15(22-16)12-6-7-14-13(8-12)10-18-19-14/h1-8,10H,9H2,(H,17,21)(H,18,19)
InChIKeyALCAFIIEVJETRN-UHFFFAOYSA-N
MW291.31 g/mol
LogP3.22
Rot. Bonds4

About N-benzyl-5-(1H-indazol-5-yl)-1,3,4-oxadiazol-2-amine

N-benzyl-5-(1H-indazol-5-yl)-1,3,4-oxadiazol-2-amine (PubChem CID 25108998) has the molecular formula C16H13N5O and a molecular weight of 291.31 g/mol. Its IUPAC name is N-benzyl-5-(1H-indazol-5-yl)-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound NameN-benzyl-5-(1H-indazol-5-yl)-1,3,4-oxadiazol-2-amine
PubChem CID25108998
Molecular FormulaC16H13N5O
Molecular Weight291.31 g/mol
Exact Mass291.11
IUPAC NameN-benzyl-5-(1H-indazol-5-yl)-1,3,4-oxadiazol-2-amine
SMILESc1ccc(CNc2nnc(-c3ccc4[nH]ncc4c3)o2)cc1
InChIInChI=1S/C16H13N5O/c1-2-4-11(5-3-1)9-17-16-21-20-15(22-16)12-6-7-14-13(8-12)10-18-19-14/h1-8,10H,9H2,(H,17,21)(H,18,19)
InChIKeyALCAFIIEVJETRN-UHFFFAOYSA-N
XLogP3.22
TPSA79.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.31
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-(3-amino-1H-indazol-5-yl)-N-benzyl-1,3,4-oxadiazol-2-amine
CID 25109769
N-(1-phenylethyl)-5-(3-pyridin-2-yl-1H-indol-5-yl)-1,3,4-oxadiazol-2-amine
CID 68356819
2-[(2-fluoroethyl)amino]-5-[5-(1H-indazol-5-yl)-1,3,4-oxadiazol-2-yl]benzonitrile
CID 156494036
2-[(2,2-difluoroethyl)amino]-5-[5-(1H-indazol-5-yl)-1,3,4-oxadiazol-2-yl]benzonitrile
CID 156494443
5-(3-amino-1H-indazol-5-yl)-N-[(1R)-1-(3-chloro-4-fluorophenyl)ethyl]-1,3,4-oxadiazol-2-amine
CID 25108871
5-(3-amino-1H-indazol-5-yl)-N-[(1S)-1-(3-chloro-4-fluorophenyl)ethyl]-1,3,4-oxadiazol-2-amine
CID 25108932
[1-(3-Chloro-4-fluorophenyl)ethyl]-[5-(1h-indazol-5-yl)-1,3,4-oxadiazol-2-yl]amine
CID 25108936
N-[(1R)-1-(3-fluorophenyl)ethyl]-5-(1H-indazol-5-yl)-1,3,4-oxadiazol-2-amine
CID 25108937
5-(1H-indazol-5-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]-1,3,4-oxadiazol-2-amine
CID 25109000
N-[(1S)-1-(3-fluorophenyl)ethyl]-5-(1H-indazol-5-yl)-1,3,4-oxadiazol-2-amine
CID 25109065
5-(7-chloro-1H-indazol-5-yl)-N-[(1R)-1-(3-fluorophenyl)ethyl]-1,3,4-oxadiazol-2-amine
CID 25109067
5-(7-chloro-1H-indazol-5-yl)-N-[(1S)-1-(3-fluorophenyl)ethyl]-1,3,4-oxadiazol-2-amine
CID 25109068

Frequently Asked Questions

What is the IUPAC name of N-benzyl-5-(1H-indazol-5-yl)-1,3,4-oxadiazol-2-amine?
The IUPAC name of N-benzyl-5-(1H-indazol-5-yl)-1,3,4-oxadiazol-2-amine (CID 25108998) is N-benzyl-5-(1H-indazol-5-yl)-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for N-benzyl-5-(1H-indazol-5-yl)-1,3,4-oxadiazol-2-amine?
The canonical SMILES for N-benzyl-5-(1H-indazol-5-yl)-1,3,4-oxadiazol-2-amine is c1ccc(CNc2nnc(-c3ccc4[nH]ncc4c3)o2)cc1.
What is the InChIKey of N-benzyl-5-(1H-indazol-5-yl)-1,3,4-oxadiazol-2-amine?
The InChIKey is ALCAFIIEVJETRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N5O/c1-2-4-11(5-3-1)9-17-16-21-20-15(22-16)12-6-7-14-13(8-12)10-18-19-14/h1-8,10H,9H2,(H,17,21)(H,18,19).
What are the key properties of N-benzyl-5-(1H-indazol-5-yl)-1,3,4-oxadiazol-2-amine?
N-benzyl-5-(1H-indazol-5-yl)-1,3,4-oxadiazol-2-amine has a molecular weight of 291.31 g/mol, XLogP of 3.22, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-5-(1H-indazol-5-yl)-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 25108998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).