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

C16H18N4O3S — CID 70784866

IUPACN,N-dimethyl-4-[[2-(2-methyl-1,3-oxazol-4-yl)imidazol-1-yl]methyl]benzenesulfonamide
SMILESCc1nc(-c2nccn2Cc2ccc(S(=O)(=O)N(C)C)cc2)co1
InChIInChI=1S/C16H18N4O3S/c1-12-18-15(11-23-12)16-17-8-9-20(16)10-13-4-6-14(7-5-13)24(21,22)19(2)3/h4-9,11H,10H2,1-3H3
InChIKeyLNOAPCQNGNQPTA-UHFFFAOYSA-N
MW346.41 g/mol
LogP2.15
Rot. Bonds5

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

N,N-dimethyl-4-[[2-(2-methyl-1,3-oxazol-4-yl)imidazol-1-yl]methyl]benzenesulfonamide (PubChem CID 70784866) has the molecular formula C16H18N4O3S and a molecular weight of 346.41 g/mol. Its IUPAC name is N,N-dimethyl-4-[[2-(2-methyl-1,3-oxazol-4-yl)imidazol-1-yl]methyl]benzenesulfonamide.

Molecular Properties

Compound NameN,N-dimethyl-4-[[2-(2-methyl-1,3-oxazol-4-yl)imidazol-1-yl]methyl]benzenesulfonamide
PubChem CID70784866
Molecular FormulaC16H18N4O3S
Molecular Weight346.41 g/mol
Exact Mass346.11
IUPAC NameN,N-dimethyl-4-[[2-(2-methyl-1,3-oxazol-4-yl)imidazol-1-yl]methyl]benzenesulfonamide
SMILESCc1nc(-c2nccn2Cc2ccc(S(=O)(=O)N(C)C)cc2)co1
InChIInChI=1S/C16H18N4O3S/c1-12-18-15(11-23-12)16-17-8-9-20(16)10-13-4-6-14(7-5-13)24(21,22)19(2)3/h4-9,11H,10H2,1-3H3
InChIKeyLNOAPCQNGNQPTA-UHFFFAOYSA-N
XLogP2.15
TPSA81.23 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.41
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-[[2-(2-methyl-1,3-oxazol-4-yl)imidazol-1-yl]methyl]benzenesulfonamide?
The IUPAC name of N,N-dimethyl-4-[[2-(2-methyl-1,3-oxazol-4-yl)imidazol-1-yl]methyl]benzenesulfonamide (CID 70784866) is N,N-dimethyl-4-[[2-(2-methyl-1,3-oxazol-4-yl)imidazol-1-yl]methyl]benzenesulfonamide.
What is the SMILES notation for N,N-dimethyl-4-[[2-(2-methyl-1,3-oxazol-4-yl)imidazol-1-yl]methyl]benzenesulfonamide?
The canonical SMILES for N,N-dimethyl-4-[[2-(2-methyl-1,3-oxazol-4-yl)imidazol-1-yl]methyl]benzenesulfonamide is Cc1nc(-c2nccn2Cc2ccc(S(=O)(=O)N(C)C)cc2)co1.
What is the InChIKey of N,N-dimethyl-4-[[2-(2-methyl-1,3-oxazol-4-yl)imidazol-1-yl]methyl]benzenesulfonamide?
The InChIKey is LNOAPCQNGNQPTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O3S/c1-12-18-15(11-23-12)16-17-8-9-20(16)10-13-4-6-14(7-5-13)24(21,22)19(2)3/h4-9,11H,10H2,1-3H3.
What are the key properties of N,N-dimethyl-4-[[2-(2-methyl-1,3-oxazol-4-yl)imidazol-1-yl]methyl]benzenesulfonamide?
N,N-dimethyl-4-[[2-(2-methyl-1,3-oxazol-4-yl)imidazol-1-yl]methyl]benzenesulfonamide has a molecular weight of 346.41 g/mol, XLogP of 2.15, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-[[2-(2-methyl-1,3-oxazol-4-yl)imidazol-1-yl]methyl]benzenesulfonamide is sourced from PubChem (CID 70784866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).