4-methyl-3-[2-[4-(2-methyl-2-azaspiro[3.4]octan-6-yl)piperazin-1-yl]-3-pyridinyl]-1,2-oxazole

C21H29N5O — CID 175631998

IUPAC4-methyl-3-[2-[4-(2-methyl-2-azaspiro[3.4]octan-6-yl)piperazin-1-yl]-3-pyridinyl]-1,2-oxazole
SMILESCc1conc1-c1cccnc1N1CCN(C2CCC3(C2)CN(C)C3)CC1
InChIInChI=1S/C21H29N5O/c1-16-13-27-23-19(16)18-4-3-7-22-20(18)26-10-8-25(9-11-26)17-5-6-21(12-17)14-24(2)15-21/h3-4,7,13,17H,5-6,8-12,14-15H2,1-2H3
InChIKeyPHXFCVBNNYDQQZ-UHFFFAOYSA-N
MW367.50 g/mol
LogP2.65
Rot. Bonds3

About 4-methyl-3-[2-[4-(2-methyl-2-azaspiro[3.4]octan-6-yl)piperazin-1-yl]-3-pyridinyl]-1,2-oxazole

4-methyl-3-[2-[4-(2-methyl-2-azaspiro[3.4]octan-6-yl)piperazin-1-yl]-3-pyridinyl]-1,2-oxazole (PubChem CID 175631998) has the molecular formula C21H29N5O and a molecular weight of 367.50 g/mol. Its IUPAC name is 4-methyl-3-[2-[4-(2-methyl-2-azaspiro[3.4]octan-6-yl)piperazin-1-yl]-3-pyridinyl]-1,2-oxazole.

Molecular Properties

Compound Name4-methyl-3-[2-[4-(2-methyl-2-azaspiro[3.4]octan-6-yl)piperazin-1-yl]-3-pyridinyl]-1,2-oxazole
PubChem CID175631998
Molecular FormulaC21H29N5O
Molecular Weight367.50 g/mol
Exact Mass367.24
IUPAC Name4-methyl-3-[2-[4-(2-methyl-2-azaspiro[3.4]octan-6-yl)piperazin-1-yl]-3-pyridinyl]-1,2-oxazole
SMILESCc1conc1-c1cccnc1N1CCN(C2CCC3(C2)CN(C)C3)CC1
InChIInChI=1S/C21H29N5O/c1-16-13-27-23-19(16)18-4-3-7-22-20(18)26-10-8-25(9-11-26)17-5-6-21(12-17)14-24(2)15-21/h3-4,7,13,17H,5-6,8-12,14-15H2,1-2H3
InChIKeyPHXFCVBNNYDQQZ-UHFFFAOYSA-N
XLogP2.65
TPSA48.64 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.50
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-[2-[4-(2-methyl-2-azaspiro[3.4]octan-6-yl)piperazin-1-yl]-3-pyridinyl]-1,2-oxazole?
The IUPAC name of 4-methyl-3-[2-[4-(2-methyl-2-azaspiro[3.4]octan-6-yl)piperazin-1-yl]-3-pyridinyl]-1,2-oxazole (CID 175631998) is 4-methyl-3-[2-[4-(2-methyl-2-azaspiro[3.4]octan-6-yl)piperazin-1-yl]-3-pyridinyl]-1,2-oxazole.
What is the SMILES notation for 4-methyl-3-[2-[4-(2-methyl-2-azaspiro[3.4]octan-6-yl)piperazin-1-yl]-3-pyridinyl]-1,2-oxazole?
The canonical SMILES for 4-methyl-3-[2-[4-(2-methyl-2-azaspiro[3.4]octan-6-yl)piperazin-1-yl]-3-pyridinyl]-1,2-oxazole is Cc1conc1-c1cccnc1N1CCN(C2CCC3(C2)CN(C)C3)CC1.
What is the InChIKey of 4-methyl-3-[2-[4-(2-methyl-2-azaspiro[3.4]octan-6-yl)piperazin-1-yl]-3-pyridinyl]-1,2-oxazole?
The InChIKey is PHXFCVBNNYDQQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N5O/c1-16-13-27-23-19(16)18-4-3-7-22-20(18)26-10-8-25(9-11-26)17-5-6-21(12-17)14-24(2)15-21/h3-4,7,13,17H,5-6,8-12,14-15H2,1-2H3.
What are the key properties of 4-methyl-3-[2-[4-(2-methyl-2-azaspiro[3.4]octan-6-yl)piperazin-1-yl]-3-pyridinyl]-1,2-oxazole?
4-methyl-3-[2-[4-(2-methyl-2-azaspiro[3.4]octan-6-yl)piperazin-1-yl]-3-pyridinyl]-1,2-oxazole has a molecular weight of 367.50 g/mol, XLogP of 2.65, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-[2-[4-(2-methyl-2-azaspiro[3.4]octan-6-yl)piperazin-1-yl]-3-pyridinyl]-1,2-oxazole is sourced from PubChem (CID 175631998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).