N-[4-methoxy-6-(pyrazol-1-ylmethyl)-1,2-benzoxazol-3-yl]-1-(oxan-4-yl)methanesulfonamide

C18H22N4O5S — CID 155414272

IUPACN-[4-methoxy-6-(pyrazol-1-ylmethyl)-1,2-benzoxazol-3-yl]-1-(oxan-4-yl)methanesulfonamide
SMILESCOc1cc(Cn2cccn2)cc2onc(NS(=O)(=O)CC3CCOCC3)c12
InChIInChI=1S/C18H22N4O5S/c1-25-15-9-14(11-22-6-2-5-19-22)10-16-17(15)18(20-27-16)21-28(23,24)12-13-3-7-26-8-4-13/h2,5-6,9-10,13H,3-4,7-8,11-12H2,1H3,(H,20,21)
InChIKeyOUAHDXJOJNPNPV-UHFFFAOYSA-N
MW406.46 g/mol
LogP2.25
Rot. Bonds7

About N-[4-methoxy-6-(pyrazol-1-ylmethyl)-1,2-benzoxazol-3-yl]-1-(oxan-4-yl)methanesulfonamide

N-[4-methoxy-6-(pyrazol-1-ylmethyl)-1,2-benzoxazol-3-yl]-1-(oxan-4-yl)methanesulfonamide (PubChem CID 155414272) has the molecular formula C18H22N4O5S and a molecular weight of 406.46 g/mol. Its IUPAC name is N-[4-methoxy-6-(pyrazol-1-ylmethyl)-1,2-benzoxazol-3-yl]-1-(oxan-4-yl)methanesulfonamide.

Molecular Properties

Compound NameN-[4-methoxy-6-(pyrazol-1-ylmethyl)-1,2-benzoxazol-3-yl]-1-(oxan-4-yl)methanesulfonamide
PubChem CID155414272
Molecular FormulaC18H22N4O5S
Molecular Weight406.46 g/mol
Exact Mass406.13
IUPAC NameN-[4-methoxy-6-(pyrazol-1-ylmethyl)-1,2-benzoxazol-3-yl]-1-(oxan-4-yl)methanesulfonamide
SMILESCOc1cc(Cn2cccn2)cc2onc(NS(=O)(=O)CC3CCOCC3)c12
InChIInChI=1S/C18H22N4O5S/c1-25-15-9-14(11-22-6-2-5-19-22)10-16-17(15)18(20-27-16)21-28(23,24)12-13-3-7-26-8-4-13/h2,5-6,9-10,13H,3-4,7-8,11-12H2,1H3,(H,20,21)
InChIKeyOUAHDXJOJNPNPV-UHFFFAOYSA-N
XLogP2.25
TPSA108.48 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.46
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N-[4-methoxy-6-(pyrazol-1-ylmethyl)-1,2-benzoxazol-3-yl]-1-(oxan-4-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-(oxan-4-yl)methanesulfonamide?
The IUPAC name of N-[4-methoxy-6-(pyrazol-1-ylmethyl)-1,2-benzoxazol-3-yl]-1-(oxan-4-yl)methanesulfonamide (CID 155414272) is N-[4-methoxy-6-(pyrazol-1-ylmethyl)-1,2-benzoxazol-3-yl]-1-(oxan-4-yl)methanesulfonamide.
What is the SMILES notation for N-[4-methoxy-6-(pyrazol-1-ylmethyl)-1,2-benzoxazol-3-yl]-1-(oxan-4-yl)methanesulfonamide?
The canonical SMILES for N-[4-methoxy-6-(pyrazol-1-ylmethyl)-1,2-benzoxazol-3-yl]-1-(oxan-4-yl)methanesulfonamide is COc1cc(Cn2cccn2)cc2onc(NS(=O)(=O)CC3CCOCC3)c12.
What is the InChIKey of N-[4-methoxy-6-(pyrazol-1-ylmethyl)-1,2-benzoxazol-3-yl]-1-(oxan-4-yl)methanesulfonamide?
The InChIKey is OUAHDXJOJNPNPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O5S/c1-25-15-9-14(11-22-6-2-5-19-22)10-16-17(15)18(20-27-16)21-28(23,24)12-13-3-7-26-8-4-13/h2,5-6,9-10,13H,3-4,7-8,11-12H2,1H3,(H,20,21).
What are the key properties of N-[4-methoxy-6-(pyrazol-1-ylmethyl)-1,2-benzoxazol-3-yl]-1-(oxan-4-yl)methanesulfonamide?
N-[4-methoxy-6-(pyrazol-1-ylmethyl)-1,2-benzoxazol-3-yl]-1-(oxan-4-yl)methanesulfonamide has a molecular weight of 406.46 g/mol, XLogP of 2.25, 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-(oxan-4-yl)methanesulfonamide is sourced from PubChem (CID 155414272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).