2-[(7-chloro-5-nitroindazol-1-yl)methyl]-5-methyl-1,3,4-oxadiazole

C11H8ClN5O3 — CID 75505561

IUPAC2-[(7-chloro-5-nitroindazol-1-yl)methyl]-5-methyl-1,3,4-oxadiazole
SMILESCc1nnc(Cn2ncc3cc([N+](=O)[O-])cc(Cl)c32)o1
InChIInChI=1S/C11H8ClN5O3/c1-6-14-15-10(20-6)5-16-11-7(4-13-16)2-8(17(18)19)3-9(11)12/h2-4H,5H2,1H3
InChIKeyBXWTVPAFHIWZDV-UHFFFAOYSA-N
MW293.67 g/mol
LogP2.34
Rot. Bonds3

About 2-[(7-chloro-5-nitroindazol-1-yl)methyl]-5-methyl-1,3,4-oxadiazole

2-[(7-chloro-5-nitroindazol-1-yl)methyl]-5-methyl-1,3,4-oxadiazole (PubChem CID 75505561) has the molecular formula C11H8ClN5O3 and a molecular weight of 293.67 g/mol. Its IUPAC name is 2-[(7-chloro-5-nitroindazol-1-yl)methyl]-5-methyl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[(7-chloro-5-nitroindazol-1-yl)methyl]-5-methyl-1,3,4-oxadiazole
PubChem CID75505561
Molecular FormulaC11H8ClN5O3
Molecular Weight293.67 g/mol
Exact Mass293.03
IUPAC Name2-[(7-chloro-5-nitroindazol-1-yl)methyl]-5-methyl-1,3,4-oxadiazole
SMILESCc1nnc(Cn2ncc3cc([N+](=O)[O-])cc(Cl)c32)o1
InChIInChI=1S/C11H8ClN5O3/c1-6-14-15-10(20-6)5-16-11-7(4-13-16)2-8(17(18)19)3-9(11)12/h2-4H,5H2,1H3
InChIKeyBXWTVPAFHIWZDV-UHFFFAOYSA-N
XLogP2.34
TPSA99.88 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.67
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(2,3-dichlorophenyl)-2-{5-nitro-1H-indazol-1-yl}acetamide
CID 1205869
6-Chloro-2-(2-methoxyethyl)-5-nitroindazole
CID 176292485
N-(2,5-dichlorophenyl)-2-{5-nitro-1H-indazol-1-yl}acetamide
CID 4020403
N-(3-chlorophenyl)-2-{5-nitro-1H-indazol-1-yl}acetamide
CID 56698300
2-(7-Chloro-5-nitroindazol-1-yl)-1-piperidin-1-ylethanone
CID 75442414
2-(7-Chloro-5-nitroindazol-1-yl)acetamide
CID 75442415
2-(7-chloro-5-nitroindazol-1-yl)-N-(2,5-dimethylpyrazol-3-yl)acetamide
CID 75442416
2-(7-chloro-5-nitroindazol-1-yl)-N-methylacetamide
CID 75442417
2-[(7-Chloro-5-nitroindazol-1-yl)methyl]-4,5-dimethyl-1,3-oxazole
CID 75442442
2-(7-chloro-5-nitroindazol-1-yl)-N-propylacetamide
CID 75442443
2-(7-chloro-5-nitroindazol-1-yl)-N-propan-2-ylacetamide
CID 75442446
2-(7-chloro-5-nitroindazol-1-yl)-N-(2-cyanoethyl)-N-ethylacetamide
CID 86790534

Frequently Asked Questions

What is the IUPAC name of 2-[(7-chloro-5-nitroindazol-1-yl)methyl]-5-methyl-1,3,4-oxadiazole?
The IUPAC name of 2-[(7-chloro-5-nitroindazol-1-yl)methyl]-5-methyl-1,3,4-oxadiazole (CID 75505561) is 2-[(7-chloro-5-nitroindazol-1-yl)methyl]-5-methyl-1,3,4-oxadiazole.
What is the SMILES notation for 2-[(7-chloro-5-nitroindazol-1-yl)methyl]-5-methyl-1,3,4-oxadiazole?
The canonical SMILES for 2-[(7-chloro-5-nitroindazol-1-yl)methyl]-5-methyl-1,3,4-oxadiazole is Cc1nnc(Cn2ncc3cc([N+](=O)[O-])cc(Cl)c32)o1.
What is the InChIKey of 2-[(7-chloro-5-nitroindazol-1-yl)methyl]-5-methyl-1,3,4-oxadiazole?
The InChIKey is BXWTVPAFHIWZDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8ClN5O3/c1-6-14-15-10(20-6)5-16-11-7(4-13-16)2-8(17(18)19)3-9(11)12/h2-4H,5H2,1H3.
What are the key properties of 2-[(7-chloro-5-nitroindazol-1-yl)methyl]-5-methyl-1,3,4-oxadiazole?
2-[(7-chloro-5-nitroindazol-1-yl)methyl]-5-methyl-1,3,4-oxadiazole has a molecular weight of 293.67 g/mol, XLogP of 2.34, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(7-chloro-5-nitroindazol-1-yl)methyl]-5-methyl-1,3,4-oxadiazole is sourced from PubChem (CID 75505561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).