2-[1-[(4-chlorophenyl)methyl]indazol-3-yl]-5-pyridin-4-yl-1,3,4-oxadiazole

C21H14ClN5O — CID 141467468

IUPAC2-[1-[(4-chlorophenyl)methyl]indazol-3-yl]-5-pyridin-4-yl-1,3,4-oxadiazole
SMILESClc1ccc(Cn2nc(-c3nnc(-c4ccncc4)o3)c3ccccc32)cc1
InChIInChI=1S/C21H14ClN5O/c22-16-7-5-14(6-8-16)13-27-18-4-2-1-3-17(18)19(26-27)21-25-24-20(28-21)15-9-11-23-12-10-15/h1-12H,13H2
InChIKeyHRVNNVFSRYTWEK-UHFFFAOYSA-N
MW387.83 g/mol
LogP4.85
Rot. Bonds4

About 2-[1-[(4-chlorophenyl)methyl]indazol-3-yl]-5-pyridin-4-yl-1,3,4-oxadiazole

2-[1-[(4-chlorophenyl)methyl]indazol-3-yl]-5-pyridin-4-yl-1,3,4-oxadiazole (PubChem CID 141467468) has the molecular formula C21H14ClN5O and a molecular weight of 387.83 g/mol. Its IUPAC name is 2-[1-[(4-chlorophenyl)methyl]indazol-3-yl]-5-pyridin-4-yl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[1-[(4-chlorophenyl)methyl]indazol-3-yl]-5-pyridin-4-yl-1,3,4-oxadiazole
PubChem CID141467468
Molecular FormulaC21H14ClN5O
Molecular Weight387.83 g/mol
Exact Mass387.09
IUPAC Name2-[1-[(4-chlorophenyl)methyl]indazol-3-yl]-5-pyridin-4-yl-1,3,4-oxadiazole
SMILESClc1ccc(Cn2nc(-c3nnc(-c4ccncc4)o3)c3ccccc32)cc1
InChIInChI=1S/C21H14ClN5O/c22-16-7-5-14(6-8-16)13-27-18-4-2-1-3-17(18)19(26-27)21-25-24-20(28-21)15-9-11-23-12-10-15/h1-12H,13H2
InChIKeyHRVNNVFSRYTWEK-UHFFFAOYSA-N
XLogP4.85
TPSA69.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.83
LogP ≤ 54.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

5-[1-[(4-chlorophenyl)methyl]indazol-3-yl]-3-thiophen-2-yl-1,2,4-oxadiazole
CID 141467458
5-(1-benzylindazol-3-yl)furan-2-carboxylic acid
CID 10925187
2-(1-benzylindazol-3-yl)-5-ethyl-4-methyl-1,3-oxazole
CID 21334429
[2-(1-benzylindazol-3-yl)-4-methyl-1,3-oxazol-5-yl]methanol
CID 18416669
2-benzyl-4-[5-(3-oxobutylsulfanyl)-1,3,4-oxadiazol-2-yl]phthalazin-1-one
CID 4858776
2-(4-iodo-1-methylpyrazol-3-yl)-5-pyridin-4-yl-1,3,4-oxadiazole
CID 4777581
9-[(4-chlorophenyl)methyl]pyrido[3,4-b]indole
CID 141321459
4-[[3-(5-formylfuran-2-yl)indazol-1-yl]methyl]benzonitrile
CID 22239023
5-[3-[(4-chlorophenyl)methyl]-4-oxophthalazin-1-yl]pyrimidine-2-carbonitrile
CID 146653412
2-[(4-chlorophenyl)methyl]-4-(2-methylpyrimidin-5-yl)phthalazin-1-one
CID 146653419
1-[(4-chlorophenyl)methyl]benzotriazole
CID 894883
9-[(4-chlorophenyl)methyl]carbazole
CID 15206746

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(4-chlorophenyl)methyl]indazol-3-yl]-5-pyridin-4-yl-1,3,4-oxadiazole?
The IUPAC name of 2-[1-[(4-chlorophenyl)methyl]indazol-3-yl]-5-pyridin-4-yl-1,3,4-oxadiazole (CID 141467468) is 2-[1-[(4-chlorophenyl)methyl]indazol-3-yl]-5-pyridin-4-yl-1,3,4-oxadiazole.
What is the SMILES notation for 2-[1-[(4-chlorophenyl)methyl]indazol-3-yl]-5-pyridin-4-yl-1,3,4-oxadiazole?
The canonical SMILES for 2-[1-[(4-chlorophenyl)methyl]indazol-3-yl]-5-pyridin-4-yl-1,3,4-oxadiazole is Clc1ccc(Cn2nc(-c3nnc(-c4ccncc4)o3)c3ccccc32)cc1.
What is the InChIKey of 2-[1-[(4-chlorophenyl)methyl]indazol-3-yl]-5-pyridin-4-yl-1,3,4-oxadiazole?
The InChIKey is HRVNNVFSRYTWEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14ClN5O/c22-16-7-5-14(6-8-16)13-27-18-4-2-1-3-17(18)19(26-27)21-25-24-20(28-21)15-9-11-23-12-10-15/h1-12H,13H2.
What are the key properties of 2-[1-[(4-chlorophenyl)methyl]indazol-3-yl]-5-pyridin-4-yl-1,3,4-oxadiazole?
2-[1-[(4-chlorophenyl)methyl]indazol-3-yl]-5-pyridin-4-yl-1,3,4-oxadiazole has a molecular weight of 387.83 g/mol, XLogP of 4.85, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(4-chlorophenyl)methyl]indazol-3-yl]-5-pyridin-4-yl-1,3,4-oxadiazole is sourced from PubChem (CID 141467468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).