4-(1H-indazol-3-yl)-2-(1,3-oxazol-2-yl)-5-(1H-pyrazol-5-yl)-1,3-benzoxazole

C20H12N6O2 — CID 141415648

IUPAC4-(1H-indazol-3-yl)-2-(1,3-oxazol-2-yl)-5-(1H-pyrazol-5-yl)-1,3-benzoxazole
SMILESc1ccc2c(-c3c(-c4ccn[nH]4)ccc4oc(-c5ncco5)nc34)n[nH]c2c1
InChIInChI=1S/C20H12N6O2/c1-2-4-13-12(3-1)17(26-25-13)16-11(14-7-8-22-24-14)5-6-15-18(16)23-20(28-15)19-21-9-10-27-19/h1-10H,(H,22,24)(H,25,26)
InChIKeyIJLXHLXIOHKUMX-UHFFFAOYSA-N
MW368.36 g/mol
LogP4.42
Rot. Bonds3

About 4-(1H-indazol-3-yl)-2-(1,3-oxazol-2-yl)-5-(1H-pyrazol-5-yl)-1,3-benzoxazole

4-(1H-indazol-3-yl)-2-(1,3-oxazol-2-yl)-5-(1H-pyrazol-5-yl)-1,3-benzoxazole (PubChem CID 141415648) has the molecular formula C20H12N6O2 and a molecular weight of 368.36 g/mol. Its IUPAC name is 4-(1H-indazol-3-yl)-2-(1,3-oxazol-2-yl)-5-(1H-pyrazol-5-yl)-1,3-benzoxazole.

Molecular Properties

Compound Name4-(1H-indazol-3-yl)-2-(1,3-oxazol-2-yl)-5-(1H-pyrazol-5-yl)-1,3-benzoxazole
PubChem CID141415648
Molecular FormulaC20H12N6O2
Molecular Weight368.36 g/mol
Exact Mass368.10
IUPAC Name4-(1H-indazol-3-yl)-2-(1,3-oxazol-2-yl)-5-(1H-pyrazol-5-yl)-1,3-benzoxazole
SMILESc1ccc2c(-c3c(-c4ccn[nH]4)ccc4oc(-c5ncco5)nc34)n[nH]c2c1
InChIInChI=1S/C20H12N6O2/c1-2-4-13-12(3-1)17(26-25-13)16-11(14-7-8-22-24-14)5-6-15-18(16)23-20(28-15)19-21-9-10-27-19/h1-10H,(H,22,24)(H,25,26)
InChIKeyIJLXHLXIOHKUMX-UHFFFAOYSA-N
XLogP4.42
TPSA109.42 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.36
LogP ≤ 54.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[1-tert-butyl-5-(1H-pyrrol-2-yl)pyrazol-3-yl]-5-methyl-1,3-benzoxazole
CID 163363524
5-imino-6-(1H-indazol-4-yl)-8-[3-(1,3-oxazol-2-ylmethoxy)phenyl]-3,6-dihydroquinazolin-4-one
CID 169491319
7-[5-(1,3-oxazol-2-ylmethyl)-6-oxo-4-(3-phenoxyphenyl)-1,4-dihydropyrrolo[3,4-d]pyrazol-3-yl]-3H-1,3-benzoxazol-2-one
CID 155686040
4-[fluoro-[3-methyl-4-[4-(triazol-1-yl)butyl]phenoxy]methyl]-2-(1H-indol-2-yl)-1,3-oxazole
CID 140524395
N-[[4-(4-fluorocyclohexyl)-5-[(1S)-2-methoxy-1-[(4S)-2-oxo-4-(trifluoromethyl)imidazolidin-1-yl]ethyl]-1,3-benzoxazol-2-yl]methyl]-2-methylpyrazole-3-carboxamide
CID 176766139
3-amino-4-(5-methyl-1H-indazol-4-yl)-6-[6-(1,3-oxazol-2-ylmethoxy)-2-pyridinyl]pyridine-2-carboxamide
CID 177283463
1-[3-(1-benzofuran-2-yl)-1H-pyrazol-4-yl]-N-(1,3-benzoxazol-2-ylmethyl)-N-methylmethanamine
CID 42097383
2-(methoxymethyl)-5-[3-(1H-pyrazol-1-yl)phenyl]-1,3-benzoxazole
CID 56720070
5-(2-furyl)-N~3~-[2-(5-methoxy-1H-indol-3-yl)ethyl]-1H-pyrazole-3-carboxamide
CID 71754832
6-(5-pyridin-2-yl-1H-pyrazol-4-yl)-1,3-benzoxazole
CID 11207726
6-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]-1,3-benzoxazole
CID 11231208
2-methyl-6-(5-pyridin-2-yl-1H-pyrazol-4-yl)-1,3-benzoxazole
CID 11277380

Frequently Asked Questions

What is the IUPAC name of 4-(1H-indazol-3-yl)-2-(1,3-oxazol-2-yl)-5-(1H-pyrazol-5-yl)-1,3-benzoxazole?
The IUPAC name of 4-(1H-indazol-3-yl)-2-(1,3-oxazol-2-yl)-5-(1H-pyrazol-5-yl)-1,3-benzoxazole (CID 141415648) is 4-(1H-indazol-3-yl)-2-(1,3-oxazol-2-yl)-5-(1H-pyrazol-5-yl)-1,3-benzoxazole.
What is the SMILES notation for 4-(1H-indazol-3-yl)-2-(1,3-oxazol-2-yl)-5-(1H-pyrazol-5-yl)-1,3-benzoxazole?
The canonical SMILES for 4-(1H-indazol-3-yl)-2-(1,3-oxazol-2-yl)-5-(1H-pyrazol-5-yl)-1,3-benzoxazole is c1ccc2c(-c3c(-c4ccn[nH]4)ccc4oc(-c5ncco5)nc34)n[nH]c2c1.
What is the InChIKey of 4-(1H-indazol-3-yl)-2-(1,3-oxazol-2-yl)-5-(1H-pyrazol-5-yl)-1,3-benzoxazole?
The InChIKey is IJLXHLXIOHKUMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H12N6O2/c1-2-4-13-12(3-1)17(26-25-13)16-11(14-7-8-22-24-14)5-6-15-18(16)23-20(28-15)19-21-9-10-27-19/h1-10H,(H,22,24)(H,25,26).
What are the key properties of 4-(1H-indazol-3-yl)-2-(1,3-oxazol-2-yl)-5-(1H-pyrazol-5-yl)-1,3-benzoxazole?
4-(1H-indazol-3-yl)-2-(1,3-oxazol-2-yl)-5-(1H-pyrazol-5-yl)-1,3-benzoxazole has a molecular weight of 368.36 g/mol, XLogP of 4.42, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1H-indazol-3-yl)-2-(1,3-oxazol-2-yl)-5-(1H-pyrazol-5-yl)-1,3-benzoxazole is sourced from PubChem (CID 141415648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).