4-[[(4,5-dimethyl-1,2-oxazol-3-yl)amino]methyl]-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide

C18H23N5O3S — CID 58561065

IUPAC4-[[(4,5-dimethyl-1,2-oxazol-3-yl)amino]methyl]-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide
SMILESCc1nn(C)c(C)c1NS(=O)(=O)c1ccc(CNc2noc(C)c2C)cc1
InChIInChI=1S/C18H23N5O3S/c1-11-14(4)26-21-18(11)19-10-15-6-8-16(9-7-15)27(24,25)22-17-12(2)20-23(5)13(17)3/h6-9,22H,10H2,1-5H3,(H,19,21)
InChIKeyRQCCEUQIUUOKJH-UHFFFAOYSA-N
MW389.48 g/mol
LogP3.05
Rot. Bonds6

About 4-[[(4,5-dimethyl-1,2-oxazol-3-yl)amino]methyl]-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide

4-[[(4,5-dimethyl-1,2-oxazol-3-yl)amino]methyl]-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide (PubChem CID 58561065) has the molecular formula C18H23N5O3S and a molecular weight of 389.48 g/mol. Its IUPAC name is 4-[[(4,5-dimethyl-1,2-oxazol-3-yl)amino]methyl]-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-[[(4,5-dimethyl-1,2-oxazol-3-yl)amino]methyl]-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide
PubChem CID58561065
Molecular FormulaC18H23N5O3S
Molecular Weight389.48 g/mol
Exact Mass389.15
IUPAC Name4-[[(4,5-dimethyl-1,2-oxazol-3-yl)amino]methyl]-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide
SMILESCc1nn(C)c(C)c1NS(=O)(=O)c1ccc(CNc2noc(C)c2C)cc1
InChIInChI=1S/C18H23N5O3S/c1-11-14(4)26-21-18(11)19-10-15-6-8-16(9-7-15)27(24,25)22-17-12(2)20-23(5)13(17)3/h6-9,22H,10H2,1-5H3,(H,19,21)
InChIKeyRQCCEUQIUUOKJH-UHFFFAOYSA-N
XLogP3.05
TPSA102.05 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.48
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[[(4,5-dimethyl-1,2-oxazol-3-yl)amino]methyl]-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide?
The IUPAC name of 4-[[(4,5-dimethyl-1,2-oxazol-3-yl)amino]methyl]-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide (CID 58561065) is 4-[[(4,5-dimethyl-1,2-oxazol-3-yl)amino]methyl]-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide.
What is the SMILES notation for 4-[[(4,5-dimethyl-1,2-oxazol-3-yl)amino]methyl]-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide?
The canonical SMILES for 4-[[(4,5-dimethyl-1,2-oxazol-3-yl)amino]methyl]-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide is Cc1nn(C)c(C)c1NS(=O)(=O)c1ccc(CNc2noc(C)c2C)cc1.
What is the InChIKey of 4-[[(4,5-dimethyl-1,2-oxazol-3-yl)amino]methyl]-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide?
The InChIKey is RQCCEUQIUUOKJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O3S/c1-11-14(4)26-21-18(11)19-10-15-6-8-16(9-7-15)27(24,25)22-17-12(2)20-23(5)13(17)3/h6-9,22H,10H2,1-5H3,(H,19,21).
What are the key properties of 4-[[(4,5-dimethyl-1,2-oxazol-3-yl)amino]methyl]-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide?
4-[[(4,5-dimethyl-1,2-oxazol-3-yl)amino]methyl]-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide has a molecular weight of 389.48 g/mol, XLogP of 3.05, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(4,5-dimethyl-1,2-oxazol-3-yl)amino]methyl]-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide is sourced from PubChem (CID 58561065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).