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

C18H12ClN7O2 — CID 167447762

IUPACN-(4-chloro-1H-indazol-5-yl)-5-[2-(4-methyl-1,3-oxazol-2-yl)-4-pyridinyl]-1,3,4-oxadiazol-2-amine
SMILESCc1coc(-c2cc(-c3nnc(Nc4ccc5[nH]ncc5c4Cl)o3)ccn2)n1
InChIInChI=1S/C18H12ClN7O2/c1-9-8-27-17(22-9)14-6-10(4-5-20-14)16-25-26-18(28-16)23-13-3-2-12-11(15(13)19)7-21-24-12/h2-8H,1H3,(H,21,24)(H,23,26)
InChIKeyNHGVWJSUVDVBSA-UHFFFAOYSA-N
MW393.79 g/mol
LogP4.37
Rot. Bonds4

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

N-(4-chloro-1H-indazol-5-yl)-5-[2-(4-methyl-1,3-oxazol-2-yl)-4-pyridinyl]-1,3,4-oxadiazol-2-amine (PubChem CID 167447762) has the molecular formula C18H12ClN7O2 and a molecular weight of 393.79 g/mol. Its IUPAC name is N-(4-chloro-1H-indazol-5-yl)-5-[2-(4-methyl-1,3-oxazol-2-yl)-4-pyridinyl]-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound NameN-(4-chloro-1H-indazol-5-yl)-5-[2-(4-methyl-1,3-oxazol-2-yl)-4-pyridinyl]-1,3,4-oxadiazol-2-amine
PubChem CID167447762
Molecular FormulaC18H12ClN7O2
Molecular Weight393.79 g/mol
Exact Mass393.07
IUPAC NameN-(4-chloro-1H-indazol-5-yl)-5-[2-(4-methyl-1,3-oxazol-2-yl)-4-pyridinyl]-1,3,4-oxadiazol-2-amine
SMILESCc1coc(-c2cc(-c3nnc(Nc4ccc5[nH]ncc5c4Cl)o3)ccn2)n1
InChIInChI=1S/C18H12ClN7O2/c1-9-8-27-17(22-9)14-6-10(4-5-20-14)16-25-26-18(28-16)23-13-3-2-12-11(15(13)19)7-21-24-12/h2-8H,1H3,(H,21,24)(H,23,26)
InChIKeyNHGVWJSUVDVBSA-UHFFFAOYSA-N
XLogP4.37
TPSA118.55 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.79
LogP ≤ 54.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-1H-indazol-5-yl)-5-[2-(4-methyl-1,3-oxazol-2-yl)-4-pyridinyl]-1,3,4-oxadiazol-2-amine?
The IUPAC name of N-(4-chloro-1H-indazol-5-yl)-5-[2-(4-methyl-1,3-oxazol-2-yl)-4-pyridinyl]-1,3,4-oxadiazol-2-amine (CID 167447762) is N-(4-chloro-1H-indazol-5-yl)-5-[2-(4-methyl-1,3-oxazol-2-yl)-4-pyridinyl]-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for N-(4-chloro-1H-indazol-5-yl)-5-[2-(4-methyl-1,3-oxazol-2-yl)-4-pyridinyl]-1,3,4-oxadiazol-2-amine?
The canonical SMILES for N-(4-chloro-1H-indazol-5-yl)-5-[2-(4-methyl-1,3-oxazol-2-yl)-4-pyridinyl]-1,3,4-oxadiazol-2-amine is Cc1coc(-c2cc(-c3nnc(Nc4ccc5[nH]ncc5c4Cl)o3)ccn2)n1.
What is the InChIKey of N-(4-chloro-1H-indazol-5-yl)-5-[2-(4-methyl-1,3-oxazol-2-yl)-4-pyridinyl]-1,3,4-oxadiazol-2-amine?
The InChIKey is NHGVWJSUVDVBSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12ClN7O2/c1-9-8-27-17(22-9)14-6-10(4-5-20-14)16-25-26-18(28-16)23-13-3-2-12-11(15(13)19)7-21-24-12/h2-8H,1H3,(H,21,24)(H,23,26).
What are the key properties of N-(4-chloro-1H-indazol-5-yl)-5-[2-(4-methyl-1,3-oxazol-2-yl)-4-pyridinyl]-1,3,4-oxadiazol-2-amine?
N-(4-chloro-1H-indazol-5-yl)-5-[2-(4-methyl-1,3-oxazol-2-yl)-4-pyridinyl]-1,3,4-oxadiazol-2-amine has a molecular weight of 393.79 g/mol, XLogP of 4.37, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-1H-indazol-5-yl)-5-[2-(4-methyl-1,3-oxazol-2-yl)-4-pyridinyl]-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 167447762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).