3,5-dimethyl-N-[6-[(2-methylphenyl)methylamino]-3-pyridinyl]-1,2-oxazole-4-sulfonamide

C18H20N4O3S — CID 113011636

IUPAC3,5-dimethyl-N-[6-[(2-methylphenyl)methylamino]-3-pyridinyl]-1,2-oxazole-4-sulfonamide
SMILESCc1ccccc1CNc1ccc(NS(=O)(=O)c2c(C)noc2C)cn1
InChIInChI=1S/C18H20N4O3S/c1-12-6-4-5-7-15(12)10-19-17-9-8-16(11-20-17)22-26(23,24)18-13(2)21-25-14(18)3/h4-9,11,22H,10H2,1-3H3,(H,19,20)
InChIKeyNTZGNRRBNLAARM-UHFFFAOYSA-N
MW372.45 g/mol
LogP3.41
Rot. Bonds6

About 3,5-dimethyl-N-[6-[(2-methylphenyl)methylamino]-3-pyridinyl]-1,2-oxazole-4-sulfonamide

3,5-dimethyl-N-[6-[(2-methylphenyl)methylamino]-3-pyridinyl]-1,2-oxazole-4-sulfonamide (PubChem CID 113011636) has the molecular formula C18H20N4O3S and a molecular weight of 372.45 g/mol. Its IUPAC name is 3,5-dimethyl-N-[6-[(2-methylphenyl)methylamino]-3-pyridinyl]-1,2-oxazole-4-sulfonamide.

Molecular Properties

Compound Name3,5-dimethyl-N-[6-[(2-methylphenyl)methylamino]-3-pyridinyl]-1,2-oxazole-4-sulfonamide
PubChem CID113011636
Molecular FormulaC18H20N4O3S
Molecular Weight372.45 g/mol
Exact Mass372.13
IUPAC Name3,5-dimethyl-N-[6-[(2-methylphenyl)methylamino]-3-pyridinyl]-1,2-oxazole-4-sulfonamide
SMILESCc1ccccc1CNc1ccc(NS(=O)(=O)c2c(C)noc2C)cn1
InChIInChI=1S/C18H20N4O3S/c1-12-6-4-5-7-15(12)10-19-17-9-8-16(11-20-17)22-26(23,24)18-13(2)21-25-14(18)3/h4-9,11,22H,10H2,1-3H3,(H,19,20)
InChIKeyNTZGNRRBNLAARM-UHFFFAOYSA-N
XLogP3.41
TPSA97.12 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.45
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 3,5-dimethyl-N-[6-[(2-methylphenyl)methylamino]-3-pyridinyl]-1,2-oxazole-4-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[6-[(4-chlorophenyl)methylamino]-3-pyridinyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 113012335
N-[6-[(2-methylphenyl)methylamino]-3-pyridinyl]methanesulfonamide
CID 113011606
3,5-dimethyl-N-[6-(propan-2-ylamino)-3-pyridinyl]-1,2-oxazole-4-sulfonamide
CID 113009202
N-[6-(2-methoxyanilino)-3-pyridinyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 113019369
N-[6-[(2-methoxyphenyl)methylamino]pyridazin-3-yl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 113041737
N-[6-(2,6-difluoroanilino)-3-pyridinyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 113023189
5-chloro-N-[6-[(2-methylphenyl)methylamino]-3-pyridinyl]thiophene-2-sulfonamide
CID 113011631
4-ethoxy-N-[6-[(2-methylphenyl)methylamino]-3-pyridinyl]benzenesulfonamide
CID 113011637
N-(6-chloro-3-pyridinyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 25047869
N-[6-(2-cyanoanilino)-3-pyridinyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 113022734
3,5-dimethyl-N-(6-methylsulfanyl-3-pyridinyl)-1,2-oxazole-4-sulfonamide
CID 71878682
N-[4-(2-ethylanilino)phenyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 112986500

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-N-[6-[(2-methylphenyl)methylamino]-3-pyridinyl]-1,2-oxazole-4-sulfonamide?
The IUPAC name of 3,5-dimethyl-N-[6-[(2-methylphenyl)methylamino]-3-pyridinyl]-1,2-oxazole-4-sulfonamide (CID 113011636) is 3,5-dimethyl-N-[6-[(2-methylphenyl)methylamino]-3-pyridinyl]-1,2-oxazole-4-sulfonamide.
What is the SMILES notation for 3,5-dimethyl-N-[6-[(2-methylphenyl)methylamino]-3-pyridinyl]-1,2-oxazole-4-sulfonamide?
The canonical SMILES for 3,5-dimethyl-N-[6-[(2-methylphenyl)methylamino]-3-pyridinyl]-1,2-oxazole-4-sulfonamide is Cc1ccccc1CNc1ccc(NS(=O)(=O)c2c(C)noc2C)cn1.
What is the InChIKey of 3,5-dimethyl-N-[6-[(2-methylphenyl)methylamino]-3-pyridinyl]-1,2-oxazole-4-sulfonamide?
The InChIKey is NTZGNRRBNLAARM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O3S/c1-12-6-4-5-7-15(12)10-19-17-9-8-16(11-20-17)22-26(23,24)18-13(2)21-25-14(18)3/h4-9,11,22H,10H2,1-3H3,(H,19,20).
What are the key properties of 3,5-dimethyl-N-[6-[(2-methylphenyl)methylamino]-3-pyridinyl]-1,2-oxazole-4-sulfonamide?
3,5-dimethyl-N-[6-[(2-methylphenyl)methylamino]-3-pyridinyl]-1,2-oxazole-4-sulfonamide has a molecular weight of 372.45 g/mol, XLogP of 3.41, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-N-[6-[(2-methylphenyl)methylamino]-3-pyridinyl]-1,2-oxazole-4-sulfonamide is sourced from PubChem (CID 113011636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).