5-(1H-indazol-5-yl)-N-[(3-methoxyphenyl)methyl]-1,3,4-oxadiazol-2-amine

C17H15N5O2 — CID 25108997

IUPAC5-(1H-indazol-5-yl)-N-[(3-methoxyphenyl)methyl]-1,3,4-oxadiazol-2-amine
SMILESCOc1cccc(CNc2nnc(-c3ccc4[nH]ncc4c3)o2)c1
InChIInChI=1S/C17H15N5O2/c1-23-14-4-2-3-11(7-14)9-18-17-22-21-16(24-17)12-5-6-15-13(8-12)10-19-20-15/h2-8,10H,9H2,1H3,(H,18,22)(H,19,20)
InChIKeyDYHMOKMFTHAYEM-UHFFFAOYSA-N
MW321.34 g/mol
LogP3.23
Rot. Bonds5

About 5-(1H-indazol-5-yl)-N-[(3-methoxyphenyl)methyl]-1,3,4-oxadiazol-2-amine

5-(1H-indazol-5-yl)-N-[(3-methoxyphenyl)methyl]-1,3,4-oxadiazol-2-amine (PubChem CID 25108997) has the molecular formula C17H15N5O2 and a molecular weight of 321.34 g/mol. Its IUPAC name is 5-(1H-indazol-5-yl)-N-[(3-methoxyphenyl)methyl]-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound Name5-(1H-indazol-5-yl)-N-[(3-methoxyphenyl)methyl]-1,3,4-oxadiazol-2-amine
PubChem CID25108997
Molecular FormulaC17H15N5O2
Molecular Weight321.34 g/mol
Exact Mass321.12
IUPAC Name5-(1H-indazol-5-yl)-N-[(3-methoxyphenyl)methyl]-1,3,4-oxadiazol-2-amine
SMILESCOc1cccc(CNc2nnc(-c3ccc4[nH]ncc4c3)o2)c1
InChIInChI=1S/C17H15N5O2/c1-23-14-4-2-3-11(7-14)9-18-17-22-21-16(24-17)12-5-6-15-13(8-12)10-19-20-15/h2-8,10H,9H2,1H3,(H,18,22)(H,19,20)
InChIKeyDYHMOKMFTHAYEM-UHFFFAOYSA-N
XLogP3.23
TPSA88.86 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.34
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-(1H-indazol-5-yl)-5-[(4-methoxyphenyl)methylsulfanyl]-1,3,4-oxadiazole
CID 68663687
N-[(4-methoxyphenyl)methyl]-5-(3-nitrophenyl)-1,3,4-oxadiazol-2-amine
CID 142725456
2-(6-methoxynaphthalen-2-yl)-5-(3-methoxyphenyl)-1,3,4-oxadiazole
CID 11348131
3-ethyl-4-[5-[(3-methoxyphenyl)methylamino]-1,3,4-oxadiazol-2-yl]-2-methylphenol
CID 135862891
2-(1H-indazol-5-ylmethyl)-5-[(3-methoxyphenyl)methyl]-1,3,4-oxadiazole;3-(1H-indazol-5-ylmethyl)-5-[(3-methoxyphenyl)methyl]-1,2,4-triazol-4-amine
CID 158635617
N-tert-butyl-5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-amine
CID 110456066
N-benzyl-5-phenyl-1,3,4-oxadiazol-2-amine
CID 11299717
5-(4-methoxyphenoxy)-1H-indazole
CID 22349444
N-benzyl-5-(3-bromophenyl)-1,3,4-oxadiazol-2-amine
CID 135015503
N-(3-methoxyphenyl)-5-[2-[(4-methoxyphenyl)methylamino]-3-pyridinyl]-1,3,4-oxadiazol-2-amine
CID 10069735
5-(4-methoxyphenyl)-N-(1,3-thiazol-4-ylmethyl)-1,3,4-oxadiazol-2-amine
CID 86817496
2-[[5-(2,3-dimethyl-1H-indol-5-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-[(3-methoxyphenyl)methyl]acetamide
CID 20895044

Frequently Asked Questions

What is the IUPAC name of 5-(1H-indazol-5-yl)-N-[(3-methoxyphenyl)methyl]-1,3,4-oxadiazol-2-amine?
The IUPAC name of 5-(1H-indazol-5-yl)-N-[(3-methoxyphenyl)methyl]-1,3,4-oxadiazol-2-amine (CID 25108997) is 5-(1H-indazol-5-yl)-N-[(3-methoxyphenyl)methyl]-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for 5-(1H-indazol-5-yl)-N-[(3-methoxyphenyl)methyl]-1,3,4-oxadiazol-2-amine?
The canonical SMILES for 5-(1H-indazol-5-yl)-N-[(3-methoxyphenyl)methyl]-1,3,4-oxadiazol-2-amine is COc1cccc(CNc2nnc(-c3ccc4[nH]ncc4c3)o2)c1.
What is the InChIKey of 5-(1H-indazol-5-yl)-N-[(3-methoxyphenyl)methyl]-1,3,4-oxadiazol-2-amine?
The InChIKey is DYHMOKMFTHAYEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N5O2/c1-23-14-4-2-3-11(7-14)9-18-17-22-21-16(24-17)12-5-6-15-13(8-12)10-19-20-15/h2-8,10H,9H2,1H3,(H,18,22)(H,19,20).
What are the key properties of 5-(1H-indazol-5-yl)-N-[(3-methoxyphenyl)methyl]-1,3,4-oxadiazol-2-amine?
5-(1H-indazol-5-yl)-N-[(3-methoxyphenyl)methyl]-1,3,4-oxadiazol-2-amine has a molecular weight of 321.34 g/mol, XLogP of 3.23, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1H-indazol-5-yl)-N-[(3-methoxyphenyl)methyl]-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 25108997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).