N-[4-[(5-methyl-1,2-oxazol-3-yl)amino]phenyl]methanesulfonamide

C11H13N3O3S — CID 112990402

IUPACN-[4-[(5-methyl-1,2-oxazol-3-yl)amino]phenyl]methanesulfonamide
SMILESCc1cc(Nc2ccc(NS(C)(=O)=O)cc2)no1
InChIInChI=1S/C11H13N3O3S/c1-8-7-11(13-17-8)12-9-3-5-10(6-4-9)14-18(2,15)16/h3-7,14H,1-2H3,(H,12,13)
InChIKeyCSEOCBMSARXYJR-UHFFFAOYSA-N
MW267.31 g/mol
LogP2.10
Rot. Bonds4

About N-[4-[(5-methyl-1,2-oxazol-3-yl)amino]phenyl]methanesulfonamide

N-[4-[(5-methyl-1,2-oxazol-3-yl)amino]phenyl]methanesulfonamide (PubChem CID 112990402) has the molecular formula C11H13N3O3S and a molecular weight of 267.31 g/mol. Its IUPAC name is N-[4-[(5-methyl-1,2-oxazol-3-yl)amino]phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[4-[(5-methyl-1,2-oxazol-3-yl)amino]phenyl]methanesulfonamide
PubChem CID112990402
Molecular FormulaC11H13N3O3S
Molecular Weight267.31 g/mol
Exact Mass267.07
IUPAC NameN-[4-[(5-methyl-1,2-oxazol-3-yl)amino]phenyl]methanesulfonamide
SMILESCc1cc(Nc2ccc(NS(C)(=O)=O)cc2)no1
InChIInChI=1S/C11H13N3O3S/c1-8-7-11(13-17-8)12-9-3-5-10(6-4-9)14-18(2,15)16/h3-7,14H,1-2H3,(H,12,13)
InChIKeyCSEOCBMSARXYJR-UHFFFAOYSA-N
XLogP2.10
TPSA84.23 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.31
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-(methanesulfonamido)-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide
CID 2446459
5-methyl-N-(4-methylphenyl)-1,2-oxazol-3-amine
CID 122548872
N-[4-[(5-methyl-1,2-oxazol-3-yl)amino]phenyl]acetamide
CID 112990326
N-[4-[(5-methyl-1,2-oxazol-3-yl)amino]phenyl]-4-propan-2-yloxybenzenesulfonamide
CID 112990448
N-[2-[[4-(methanesulfonamido)benzoyl]amino]ethyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 108572189
4-fluoro-N-[5-[(5-methyl-1,2-oxazol-3-yl)amino]-2-pyridinyl]benzenesulfonamide
CID 113037737
ethyl N-[4-[(5-methyl-1,2-oxazol-3-yl)amino]phenyl]carbamate
CID 112990393
4-(chloroamino)-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide
CID 162345507
6-N-(4-chlorophenyl)-2-methyl-4-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-4,6-diamine
CID 112878057
2-methyl-N-[4-[(5-methyl-1,2-oxazol-3-yl)amino]phenyl]benzamide
CID 112990340
N-(5-methyl-1,2-oxazol-3-yl)-4-[[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]anilino]methylamino]benzenesulfonamide
CID 149149977
4-(ethylamino)-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide
CID 62148521

Frequently Asked Questions

What is the IUPAC name of N-[4-[(5-methyl-1,2-oxazol-3-yl)amino]phenyl]methanesulfonamide?
The IUPAC name of N-[4-[(5-methyl-1,2-oxazol-3-yl)amino]phenyl]methanesulfonamide (CID 112990402) is N-[4-[(5-methyl-1,2-oxazol-3-yl)amino]phenyl]methanesulfonamide.
What is the SMILES notation for N-[4-[(5-methyl-1,2-oxazol-3-yl)amino]phenyl]methanesulfonamide?
The canonical SMILES for N-[4-[(5-methyl-1,2-oxazol-3-yl)amino]phenyl]methanesulfonamide is Cc1cc(Nc2ccc(NS(C)(=O)=O)cc2)no1.
What is the InChIKey of N-[4-[(5-methyl-1,2-oxazol-3-yl)amino]phenyl]methanesulfonamide?
The InChIKey is CSEOCBMSARXYJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O3S/c1-8-7-11(13-17-8)12-9-3-5-10(6-4-9)14-18(2,15)16/h3-7,14H,1-2H3,(H,12,13).
What are the key properties of N-[4-[(5-methyl-1,2-oxazol-3-yl)amino]phenyl]methanesulfonamide?
N-[4-[(5-methyl-1,2-oxazol-3-yl)amino]phenyl]methanesulfonamide has a molecular weight of 267.31 g/mol, XLogP of 2.10, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(5-methyl-1,2-oxazol-3-yl)amino]phenyl]methanesulfonamide is sourced from PubChem (CID 112990402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).