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

C17H16N2O3S — CID 1244597

IUPACN-methyl-4-(4-methylphenyl)sulfonyl-2-phenyl-1,3-oxazol-5-amine
SMILESCNc1oc(-c2ccccc2)nc1S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C17H16N2O3S/c1-12-8-10-14(11-9-12)23(20,21)17-16(18-2)22-15(19-17)13-6-4-3-5-7-13/h3-11,18H,1-2H3
InChIKeyQOCWVESPIDCEKL-UHFFFAOYSA-N
MW328.39 g/mol
LogP3.52
Rot. Bonds4

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

N-methyl-4-(4-methylphenyl)sulfonyl-2-phenyl-1,3-oxazol-5-amine (PubChem CID 1244597) has the molecular formula C17H16N2O3S and a molecular weight of 328.39 g/mol. Its IUPAC name is N-methyl-4-(4-methylphenyl)sulfonyl-2-phenyl-1,3-oxazol-5-amine.

Molecular Properties

Compound NameN-methyl-4-(4-methylphenyl)sulfonyl-2-phenyl-1,3-oxazol-5-amine
PubChem CID1244597
Molecular FormulaC17H16N2O3S
Molecular Weight328.39 g/mol
Exact Mass328.09
IUPAC NameN-methyl-4-(4-methylphenyl)sulfonyl-2-phenyl-1,3-oxazol-5-amine
SMILESCNc1oc(-c2ccccc2)nc1S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C17H16N2O3S/c1-12-8-10-14(11-9-12)23(20,21)17-16(18-2)22-15(19-17)13-6-4-3-5-7-13/h3-11,18H,1-2H3
InChIKeyQOCWVESPIDCEKL-UHFFFAOYSA-N
XLogP3.52
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.39
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-4-(4-methylphenyl)sulfonyl-2-phenyl-1,3-oxazol-5-amine?
The IUPAC name of N-methyl-4-(4-methylphenyl)sulfonyl-2-phenyl-1,3-oxazol-5-amine (CID 1244597) is N-methyl-4-(4-methylphenyl)sulfonyl-2-phenyl-1,3-oxazol-5-amine.
What is the SMILES notation for N-methyl-4-(4-methylphenyl)sulfonyl-2-phenyl-1,3-oxazol-5-amine?
The canonical SMILES for N-methyl-4-(4-methylphenyl)sulfonyl-2-phenyl-1,3-oxazol-5-amine is CNc1oc(-c2ccccc2)nc1S(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of N-methyl-4-(4-methylphenyl)sulfonyl-2-phenyl-1,3-oxazol-5-amine?
The InChIKey is QOCWVESPIDCEKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O3S/c1-12-8-10-14(11-9-12)23(20,21)17-16(18-2)22-15(19-17)13-6-4-3-5-7-13/h3-11,18H,1-2H3.
What are the key properties of N-methyl-4-(4-methylphenyl)sulfonyl-2-phenyl-1,3-oxazol-5-amine?
N-methyl-4-(4-methylphenyl)sulfonyl-2-phenyl-1,3-oxazol-5-amine has a molecular weight of 328.39 g/mol, XLogP of 3.52, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-(4-methylphenyl)sulfonyl-2-phenyl-1,3-oxazol-5-amine is sourced from PubChem (CID 1244597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).