5-(5-chloro-6-propan-2-yloxy-3-pyridinyl)-3-[4-methyl-1-[(1-methyltetrazol-5-yl)methyl]-2,3-dihydro-1H-inden-5-yl]-1,2,4-oxadiazole

C23H24ClN7O2 — CID 11691239

IUPAC5-(5-chloro-6-propan-2-yloxy-3-pyridinyl)-3-[4-methyl-1-[(1-methyltetrazol-5-yl)methyl]-2,3-dihydro-1H-inden-5-yl]-1,2,4-oxadiazole
SMILESCc1c(-c2noc(-c3cnc(OC(C)C)c(Cl)c3)n2)ccc2c1CCC2Cc1nnnn1C
InChIInChI=1S/C23H24ClN7O2/c1-12(2)32-23-19(24)9-15(11-25-23)22-26-21(28-33-22)17-7-8-18-14(5-6-16(18)13(17)3)10-20-27-29-30-31(20)4/h7-9,11-12,14H,5-6,10H2,1-4H3
InChIKeyBBDILSKGVHZOJX-UHFFFAOYSA-N
MW465.95 g/mol
LogP4.34
Rot. Bonds6

About 5-(5-chloro-6-propan-2-yloxy-3-pyridinyl)-3-[4-methyl-1-[(1-methyltetrazol-5-yl)methyl]-2,3-dihydro-1H-inden-5-yl]-1,2,4-oxadiazole

5-(5-chloro-6-propan-2-yloxy-3-pyridinyl)-3-[4-methyl-1-[(1-methyltetrazol-5-yl)methyl]-2,3-dihydro-1H-inden-5-yl]-1,2,4-oxadiazole (PubChem CID 11691239) has the molecular formula C23H24ClN7O2 and a molecular weight of 465.95 g/mol. Its IUPAC name is 5-(5-chloro-6-propan-2-yloxy-3-pyridinyl)-3-[4-methyl-1-[(1-methyltetrazol-5-yl)methyl]-2,3-dihydro-1H-inden-5-yl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(5-chloro-6-propan-2-yloxy-3-pyridinyl)-3-[4-methyl-1-[(1-methyltetrazol-5-yl)methyl]-2,3-dihydro-1H-inden-5-yl]-1,2,4-oxadiazole
PubChem CID11691239
Molecular FormulaC23H24ClN7O2
Molecular Weight465.95 g/mol
Exact Mass465.17
IUPAC Name5-(5-chloro-6-propan-2-yloxy-3-pyridinyl)-3-[4-methyl-1-[(1-methyltetrazol-5-yl)methyl]-2,3-dihydro-1H-inden-5-yl]-1,2,4-oxadiazole
SMILESCc1c(-c2noc(-c3cnc(OC(C)C)c(Cl)c3)n2)ccc2c1CCC2Cc1nnnn1C
InChIInChI=1S/C23H24ClN7O2/c1-12(2)32-23-19(24)9-15(11-25-23)22-26-21(28-33-22)17-7-8-18-14(5-6-16(18)13(17)3)10-20-27-29-30-31(20)4/h7-9,11-12,14H,5-6,10H2,1-4H3
InChIKeyBBDILSKGVHZOJX-UHFFFAOYSA-N
XLogP4.34
TPSA104.64 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.95
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 5-(5-chloro-6-propan-2-yloxy-3-pyridinyl)-3-[4-methyl-1-[(1-methyltetrazol-5-yl)methyl]-2,3-dihydro-1H-inden-5-yl]-1,2,4-oxadiazole?
The IUPAC name of 5-(5-chloro-6-propan-2-yloxy-3-pyridinyl)-3-[4-methyl-1-[(1-methyltetrazol-5-yl)methyl]-2,3-dihydro-1H-inden-5-yl]-1,2,4-oxadiazole (CID 11691239) is 5-(5-chloro-6-propan-2-yloxy-3-pyridinyl)-3-[4-methyl-1-[(1-methyltetrazol-5-yl)methyl]-2,3-dihydro-1H-inden-5-yl]-1,2,4-oxadiazole.
What is the SMILES notation for 5-(5-chloro-6-propan-2-yloxy-3-pyridinyl)-3-[4-methyl-1-[(1-methyltetrazol-5-yl)methyl]-2,3-dihydro-1H-inden-5-yl]-1,2,4-oxadiazole?
The canonical SMILES for 5-(5-chloro-6-propan-2-yloxy-3-pyridinyl)-3-[4-methyl-1-[(1-methyltetrazol-5-yl)methyl]-2,3-dihydro-1H-inden-5-yl]-1,2,4-oxadiazole is Cc1c(-c2noc(-c3cnc(OC(C)C)c(Cl)c3)n2)ccc2c1CCC2Cc1nnnn1C.
What is the InChIKey of 5-(5-chloro-6-propan-2-yloxy-3-pyridinyl)-3-[4-methyl-1-[(1-methyltetrazol-5-yl)methyl]-2,3-dihydro-1H-inden-5-yl]-1,2,4-oxadiazole?
The InChIKey is BBDILSKGVHZOJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24ClN7O2/c1-12(2)32-23-19(24)9-15(11-25-23)22-26-21(28-33-22)17-7-8-18-14(5-6-16(18)13(17)3)10-20-27-29-30-31(20)4/h7-9,11-12,14H,5-6,10H2,1-4H3.
What are the key properties of 5-(5-chloro-6-propan-2-yloxy-3-pyridinyl)-3-[4-methyl-1-[(1-methyltetrazol-5-yl)methyl]-2,3-dihydro-1H-inden-5-yl]-1,2,4-oxadiazole?
5-(5-chloro-6-propan-2-yloxy-3-pyridinyl)-3-[4-methyl-1-[(1-methyltetrazol-5-yl)methyl]-2,3-dihydro-1H-inden-5-yl]-1,2,4-oxadiazole has a molecular weight of 465.95 g/mol, XLogP of 4.34, 6 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-chloro-6-propan-2-yloxy-3-pyridinyl)-3-[4-methyl-1-[(1-methyltetrazol-5-yl)methyl]-2,3-dihydro-1H-inden-5-yl]-1,2,4-oxadiazole is sourced from PubChem (CID 11691239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).