N-[3-[4-(6-methyl-1,3-benzoxazol-2-yl)-1H-pyrazol-5-yl]phenyl]methanesulfonamide

C18H16N4O3S — CID 10109593

IUPACN-[3-[4-(6-methyl-1,3-benzoxazol-2-yl)-1H-pyrazol-5-yl]phenyl]methanesulfonamide
SMILESCc1ccc2nc(-c3cn[nH]c3-c3cccc(NS(C)(=O)=O)c3)oc2c1
InChIInChI=1S/C18H16N4O3S/c1-11-6-7-15-16(8-11)25-18(20-15)14-10-19-21-17(14)12-4-3-5-13(9-12)22-26(2,23)24/h3-10,22H,1-2H3,(H,19,21)
InChIKeyXQENLEFKSGVGNR-UHFFFAOYSA-N
MW368.42 g/mol
LogP3.56
Rot. Bonds4

About N-[3-[4-(6-methyl-1,3-benzoxazol-2-yl)-1H-pyrazol-5-yl]phenyl]methanesulfonamide

N-[3-[4-(6-methyl-1,3-benzoxazol-2-yl)-1H-pyrazol-5-yl]phenyl]methanesulfonamide (PubChem CID 10109593) has the molecular formula C18H16N4O3S and a molecular weight of 368.42 g/mol. Its IUPAC name is N-[3-[4-(6-methyl-1,3-benzoxazol-2-yl)-1H-pyrazol-5-yl]phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[3-[4-(6-methyl-1,3-benzoxazol-2-yl)-1H-pyrazol-5-yl]phenyl]methanesulfonamide
PubChem CID10109593
Molecular FormulaC18H16N4O3S
Molecular Weight368.42 g/mol
Exact Mass368.09
IUPAC NameN-[3-[4-(6-methyl-1,3-benzoxazol-2-yl)-1H-pyrazol-5-yl]phenyl]methanesulfonamide
SMILESCc1ccc2nc(-c3cn[nH]c3-c3cccc(NS(C)(=O)=O)c3)oc2c1
InChIInChI=1S/C18H16N4O3S/c1-11-6-7-15-16(8-11)25-18(20-15)14-10-19-21-17(14)12-4-3-5-13(9-12)22-26(2,23)24/h3-10,22H,1-2H3,(H,19,21)
InChIKeyXQENLEFKSGVGNR-UHFFFAOYSA-N
XLogP3.56
TPSA100.88 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.42
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-[4-(6-methyl-1,3-benzoxazol-2-yl)-1H-pyrazol-5-yl]phenyl]pyridine-2-carboxamide
CID 10200715
2,6-dichloro-N-[4-[4-(6-methyl-1,3-benzoxazol-2-yl)-1H-pyrazol-5-yl]phenyl]pyridine-4-carboxamide
CID 10115743
[1-[4-[4-(6-methyl-1,3-benzoxazol-2-yl)-1H-pyrazol-5-yl]anilino]-1-oxopropan-2-yl] acetate
CID 10294637
6-methyl-2-(3-methylphenyl)-1,3-benzoxazole
CID 17360080
N-(2-phenyl-1,3-benzoxazol-5-yl)methanesulfonamide
CID 155526717
N-[4-(6-methyl-1,3-benzoxazol-2-yl)phenyl]benzenesulfonamide
CID 3371014
N-[3-(6-methyl-1,3-benzoxazol-2-yl)phenyl]-4-phenylbenzamide
CID 3125064
N-[4-[[3-(5-methyl-1,3-benzoxazol-2-yl)phenyl]sulfamoyl]phenyl]acetamide
CID 2231689
N-[3-(6-methyl-1,3-benzoxazol-2-yl)phenyl]-1,3-benzodioxole-5-carboxamide
CID 3912982
N-[3-(6-methyl-1,3-benzoxazol-2-yl)phenyl]-4-(4-methylphenyl)-1-oxoisochromene-3-carboxamide
CID 4055823
N-[3-(6-methyl-1,3-benzoxazol-2-yl)phenyl]-1-oxo-4-phenylisochromene-3-carboxamide
CID 5170321
N-[4-(6-methyl-1,3-benzoxazol-2-yl)phenyl]acetamide
CID 17100800

Frequently Asked Questions

What is the IUPAC name of N-[3-[4-(6-methyl-1,3-benzoxazol-2-yl)-1H-pyrazol-5-yl]phenyl]methanesulfonamide?
The IUPAC name of N-[3-[4-(6-methyl-1,3-benzoxazol-2-yl)-1H-pyrazol-5-yl]phenyl]methanesulfonamide (CID 10109593) is N-[3-[4-(6-methyl-1,3-benzoxazol-2-yl)-1H-pyrazol-5-yl]phenyl]methanesulfonamide.
What is the SMILES notation for N-[3-[4-(6-methyl-1,3-benzoxazol-2-yl)-1H-pyrazol-5-yl]phenyl]methanesulfonamide?
The canonical SMILES for N-[3-[4-(6-methyl-1,3-benzoxazol-2-yl)-1H-pyrazol-5-yl]phenyl]methanesulfonamide is Cc1ccc2nc(-c3cn[nH]c3-c3cccc(NS(C)(=O)=O)c3)oc2c1.
What is the InChIKey of N-[3-[4-(6-methyl-1,3-benzoxazol-2-yl)-1H-pyrazol-5-yl]phenyl]methanesulfonamide?
The InChIKey is XQENLEFKSGVGNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4O3S/c1-11-6-7-15-16(8-11)25-18(20-15)14-10-19-21-17(14)12-4-3-5-13(9-12)22-26(2,23)24/h3-10,22H,1-2H3,(H,19,21).
What are the key properties of N-[3-[4-(6-methyl-1,3-benzoxazol-2-yl)-1H-pyrazol-5-yl]phenyl]methanesulfonamide?
N-[3-[4-(6-methyl-1,3-benzoxazol-2-yl)-1H-pyrazol-5-yl]phenyl]methanesulfonamide has a molecular weight of 368.42 g/mol, XLogP of 3.56, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-(6-methyl-1,3-benzoxazol-2-yl)-1H-pyrazol-5-yl]phenyl]methanesulfonamide is sourced from PubChem (CID 10109593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).