N,N-dimethyl-2-(4-methylphenyl)-4-(4-methylphenyl)sulfonyl-1,3-oxazol-5-amine

C19H20N2O3S — CID 1381275

IUPACN,N-dimethyl-2-(4-methylphenyl)-4-(4-methylphenyl)sulfonyl-1,3-oxazol-5-amine
SMILESCc1ccc(-c2nc(S(=O)(=O)c3ccc(C)cc3)c(N(C)C)o2)cc1
InChIInChI=1S/C19H20N2O3S/c1-13-5-9-15(10-6-13)17-20-18(19(24-17)21(3)4)25(22,23)16-11-7-14(2)8-12-16/h5-12H,1-4H3
InChIKeyGURGIAHFVKHWTL-UHFFFAOYSA-N
MW356.45 g/mol
LogP3.86
Rot. Bonds4

About N,N-dimethyl-2-(4-methylphenyl)-4-(4-methylphenyl)sulfonyl-1,3-oxazol-5-amine

N,N-dimethyl-2-(4-methylphenyl)-4-(4-methylphenyl)sulfonyl-1,3-oxazol-5-amine (PubChem CID 1381275) has the molecular formula C19H20N2O3S and a molecular weight of 356.45 g/mol. Its IUPAC name is N,N-dimethyl-2-(4-methylphenyl)-4-(4-methylphenyl)sulfonyl-1,3-oxazol-5-amine.

Molecular Properties

Compound NameN,N-dimethyl-2-(4-methylphenyl)-4-(4-methylphenyl)sulfonyl-1,3-oxazol-5-amine
PubChem CID1381275
Molecular FormulaC19H20N2O3S
Molecular Weight356.45 g/mol
Exact Mass356.12
IUPAC NameN,N-dimethyl-2-(4-methylphenyl)-4-(4-methylphenyl)sulfonyl-1,3-oxazol-5-amine
SMILESCc1ccc(-c2nc(S(=O)(=O)c3ccc(C)cc3)c(N(C)C)o2)cc1
InChIInChI=1S/C19H20N2O3S/c1-13-5-9-15(10-6-13)17-20-18(19(24-17)21(3)4)25(22,23)16-11-7-14(2)8-12-16/h5-12H,1-4H3
InChIKeyGURGIAHFVKHWTL-UHFFFAOYSA-N
XLogP3.86
TPSA63.41 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.45
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-(4-methylphenyl)-4-(4-methylphenyl)sulfonyl-1,3-oxazol-5-amine?
The IUPAC name of N,N-dimethyl-2-(4-methylphenyl)-4-(4-methylphenyl)sulfonyl-1,3-oxazol-5-amine (CID 1381275) is N,N-dimethyl-2-(4-methylphenyl)-4-(4-methylphenyl)sulfonyl-1,3-oxazol-5-amine.
What is the SMILES notation for N,N-dimethyl-2-(4-methylphenyl)-4-(4-methylphenyl)sulfonyl-1,3-oxazol-5-amine?
The canonical SMILES for N,N-dimethyl-2-(4-methylphenyl)-4-(4-methylphenyl)sulfonyl-1,3-oxazol-5-amine is Cc1ccc(-c2nc(S(=O)(=O)c3ccc(C)cc3)c(N(C)C)o2)cc1.
What is the InChIKey of N,N-dimethyl-2-(4-methylphenyl)-4-(4-methylphenyl)sulfonyl-1,3-oxazol-5-amine?
The InChIKey is GURGIAHFVKHWTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O3S/c1-13-5-9-15(10-6-13)17-20-18(19(24-17)21(3)4)25(22,23)16-11-7-14(2)8-12-16/h5-12H,1-4H3.
What are the key properties of N,N-dimethyl-2-(4-methylphenyl)-4-(4-methylphenyl)sulfonyl-1,3-oxazol-5-amine?
N,N-dimethyl-2-(4-methylphenyl)-4-(4-methylphenyl)sulfonyl-1,3-oxazol-5-amine has a molecular weight of 356.45 g/mol, XLogP of 3.86, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-(4-methylphenyl)-4-(4-methylphenyl)sulfonyl-1,3-oxazol-5-amine is sourced from PubChem (CID 1381275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).