N-[[2-[benzyl(methyl)amino]-3-pyridinyl]methyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide

C19H22N4O3S — CID 42379326

IUPACN-[[2-[benzyl(methyl)amino]-3-pyridinyl]methyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
SMILESCc1noc(C)c1S(=O)(=O)NCc1cccnc1N(C)Cc1ccccc1
InChIInChI=1S/C19H22N4O3S/c1-14-18(15(2)26-22-14)27(24,25)21-12-17-10-7-11-20-19(17)23(3)13-16-8-5-4-6-9-16/h4-11,21H,12-13H2,1-3H3
InChIKeyPTHRQNGGPREQKO-UHFFFAOYSA-N
MW386.48 g/mol
LogP2.80
Rot. Bonds7

About N-[[2-[benzyl(methyl)amino]-3-pyridinyl]methyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide

N-[[2-[benzyl(methyl)amino]-3-pyridinyl]methyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide (PubChem CID 42379326) has the molecular formula C19H22N4O3S and a molecular weight of 386.48 g/mol. Its IUPAC name is N-[[2-[benzyl(methyl)amino]-3-pyridinyl]methyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide.

Molecular Properties

Compound NameN-[[2-[benzyl(methyl)amino]-3-pyridinyl]methyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
PubChem CID42379326
Molecular FormulaC19H22N4O3S
Molecular Weight386.48 g/mol
Exact Mass386.14
IUPAC NameN-[[2-[benzyl(methyl)amino]-3-pyridinyl]methyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
SMILESCc1noc(C)c1S(=O)(=O)NCc1cccnc1N(C)Cc1ccccc1
InChIInChI=1S/C19H22N4O3S/c1-14-18(15(2)26-22-14)27(24,25)21-12-17-10-7-11-20-19(17)23(3)13-16-8-5-4-6-9-16/h4-11,21H,12-13H2,1-3H3
InChIKeyPTHRQNGGPREQKO-UHFFFAOYSA-N
XLogP2.80
TPSA88.33 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.48
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[[2-[benzyl(methyl)amino]-3-pyridinyl]methyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide?
The IUPAC name of N-[[2-[benzyl(methyl)amino]-3-pyridinyl]methyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide (CID 42379326) is N-[[2-[benzyl(methyl)amino]-3-pyridinyl]methyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide.
What is the SMILES notation for N-[[2-[benzyl(methyl)amino]-3-pyridinyl]methyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide?
The canonical SMILES for N-[[2-[benzyl(methyl)amino]-3-pyridinyl]methyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide is Cc1noc(C)c1S(=O)(=O)NCc1cccnc1N(C)Cc1ccccc1.
What is the InChIKey of N-[[2-[benzyl(methyl)amino]-3-pyridinyl]methyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide?
The InChIKey is PTHRQNGGPREQKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O3S/c1-14-18(15(2)26-22-14)27(24,25)21-12-17-10-7-11-20-19(17)23(3)13-16-8-5-4-6-9-16/h4-11,21H,12-13H2,1-3H3.
What are the key properties of N-[[2-[benzyl(methyl)amino]-3-pyridinyl]methyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide?
N-[[2-[benzyl(methyl)amino]-3-pyridinyl]methyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide has a molecular weight of 386.48 g/mol, XLogP of 2.80, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[benzyl(methyl)amino]-3-pyridinyl]methyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide is sourced from PubChem (CID 42379326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).