N-[4-methoxy-6-(pyrazol-1-ylmethyl)-1,2-benzoxazol-3-yl]-1-(6-oxaspiro[3.4]octan-7-yl)methanesulfonamide

C20H24N4O5S — CID 155428658

IUPACN-[4-methoxy-6-(pyrazol-1-ylmethyl)-1,2-benzoxazol-3-yl]-1-(6-oxaspiro[3.4]octan-7-yl)methanesulfonamide
SMILESCOc1cc(Cn2cccn2)cc2onc(NS(=O)(=O)CC3CC4(CCC4)CO3)c12
InChIInChI=1S/C20H24N4O5S/c1-27-16-8-14(11-24-7-3-6-21-24)9-17-18(16)19(22-29-17)23-30(25,26)12-15-10-20(13-28-15)4-2-5-20/h3,6-9,15H,2,4-5,10-13H2,1H3,(H,22,23)
InChIKeyNXYJQVZNPRGOSK-UHFFFAOYSA-N
MW432.50 g/mol
LogP2.78
Rot. Bonds7

About N-[4-methoxy-6-(pyrazol-1-ylmethyl)-1,2-benzoxazol-3-yl]-1-(6-oxaspiro[3.4]octan-7-yl)methanesulfonamide

N-[4-methoxy-6-(pyrazol-1-ylmethyl)-1,2-benzoxazol-3-yl]-1-(6-oxaspiro[3.4]octan-7-yl)methanesulfonamide (PubChem CID 155428658) has the molecular formula C20H24N4O5S and a molecular weight of 432.50 g/mol. Its IUPAC name is N-[4-methoxy-6-(pyrazol-1-ylmethyl)-1,2-benzoxazol-3-yl]-1-(6-oxaspiro[3.4]octan-7-yl)methanesulfonamide.

Molecular Properties

Compound NameN-[4-methoxy-6-(pyrazol-1-ylmethyl)-1,2-benzoxazol-3-yl]-1-(6-oxaspiro[3.4]octan-7-yl)methanesulfonamide
PubChem CID155428658
Molecular FormulaC20H24N4O5S
Molecular Weight432.50 g/mol
Exact Mass432.15
IUPAC NameN-[4-methoxy-6-(pyrazol-1-ylmethyl)-1,2-benzoxazol-3-yl]-1-(6-oxaspiro[3.4]octan-7-yl)methanesulfonamide
SMILESCOc1cc(Cn2cccn2)cc2onc(NS(=O)(=O)CC3CC4(CCC4)CO3)c12
InChIInChI=1S/C20H24N4O5S/c1-27-16-8-14(11-24-7-3-6-21-24)9-17-18(16)19(22-29-17)23-30(25,26)12-15-10-20(13-28-15)4-2-5-20/h3,6-9,15H,2,4-5,10-13H2,1H3,(H,22,23)
InChIKeyNXYJQVZNPRGOSK-UHFFFAOYSA-N
XLogP2.78
TPSA108.48 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.50
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N-[4-methoxy-6-(pyrazol-1-ylmethyl)-1,2-benzoxazol-3-yl]-1-(6-oxaspiro[3.4]octan-7-yl)methanesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[4-methoxy-6-(pyrazol-1-ylmethyl)-1,2-benzoxazol-3-yl]-1-(6-oxaspiro[3.4]octan-7-yl)methanesulfonamide?
The IUPAC name of N-[4-methoxy-6-(pyrazol-1-ylmethyl)-1,2-benzoxazol-3-yl]-1-(6-oxaspiro[3.4]octan-7-yl)methanesulfonamide (CID 155428658) is N-[4-methoxy-6-(pyrazol-1-ylmethyl)-1,2-benzoxazol-3-yl]-1-(6-oxaspiro[3.4]octan-7-yl)methanesulfonamide.
What is the SMILES notation for N-[4-methoxy-6-(pyrazol-1-ylmethyl)-1,2-benzoxazol-3-yl]-1-(6-oxaspiro[3.4]octan-7-yl)methanesulfonamide?
The canonical SMILES for N-[4-methoxy-6-(pyrazol-1-ylmethyl)-1,2-benzoxazol-3-yl]-1-(6-oxaspiro[3.4]octan-7-yl)methanesulfonamide is COc1cc(Cn2cccn2)cc2onc(NS(=O)(=O)CC3CC4(CCC4)CO3)c12.
What is the InChIKey of N-[4-methoxy-6-(pyrazol-1-ylmethyl)-1,2-benzoxazol-3-yl]-1-(6-oxaspiro[3.4]octan-7-yl)methanesulfonamide?
The InChIKey is NXYJQVZNPRGOSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O5S/c1-27-16-8-14(11-24-7-3-6-21-24)9-17-18(16)19(22-29-17)23-30(25,26)12-15-10-20(13-28-15)4-2-5-20/h3,6-9,15H,2,4-5,10-13H2,1H3,(H,22,23).
What are the key properties of N-[4-methoxy-6-(pyrazol-1-ylmethyl)-1,2-benzoxazol-3-yl]-1-(6-oxaspiro[3.4]octan-7-yl)methanesulfonamide?
N-[4-methoxy-6-(pyrazol-1-ylmethyl)-1,2-benzoxazol-3-yl]-1-(6-oxaspiro[3.4]octan-7-yl)methanesulfonamide has a molecular weight of 432.50 g/mol, XLogP of 2.78, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-methoxy-6-(pyrazol-1-ylmethyl)-1,2-benzoxazol-3-yl]-1-(6-oxaspiro[3.4]octan-7-yl)methanesulfonamide is sourced from PubChem (CID 155428658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).