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

C14H18N2O3S — CID 673780

IUPACN-methyl-4-(4-methylphenyl)sulfonyl-2-propyl-1,3-oxazol-5-amine
SMILESCCCc1nc(S(=O)(=O)c2ccc(C)cc2)c(NC)o1
InChIInChI=1S/C14H18N2O3S/c1-4-5-12-16-14(13(15-3)19-12)20(17,18)11-8-6-10(2)7-9-11/h6-9,15H,4-5H2,1-3H3
InChIKeyQXUWWPMMEVDRKX-UHFFFAOYSA-N
MW294.38 g/mol
LogP2.81
Rot. Bonds5

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

N-methyl-4-(4-methylphenyl)sulfonyl-2-propyl-1,3-oxazol-5-amine (PubChem CID 673780) has the molecular formula C14H18N2O3S and a molecular weight of 294.38 g/mol. Its IUPAC name is N-methyl-4-(4-methylphenyl)sulfonyl-2-propyl-1,3-oxazol-5-amine.

Molecular Properties

Compound NameN-methyl-4-(4-methylphenyl)sulfonyl-2-propyl-1,3-oxazol-5-amine
PubChem CID673780
Molecular FormulaC14H18N2O3S
Molecular Weight294.38 g/mol
Exact Mass294.10
IUPAC NameN-methyl-4-(4-methylphenyl)sulfonyl-2-propyl-1,3-oxazol-5-amine
SMILESCCCc1nc(S(=O)(=O)c2ccc(C)cc2)c(NC)o1
InChIInChI=1S/C14H18N2O3S/c1-4-5-12-16-14(13(15-3)19-12)20(17,18)11-8-6-10(2)7-9-11/h6-9,15H,4-5H2,1-3H3
InChIKeyQXUWWPMMEVDRKX-UHFFFAOYSA-N
XLogP2.81
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.38
LogP ≤ 52.81
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-propyl-1,3-oxazol-5-amine?
The IUPAC name of N-methyl-4-(4-methylphenyl)sulfonyl-2-propyl-1,3-oxazol-5-amine (CID 673780) is N-methyl-4-(4-methylphenyl)sulfonyl-2-propyl-1,3-oxazol-5-amine.
What is the SMILES notation for N-methyl-4-(4-methylphenyl)sulfonyl-2-propyl-1,3-oxazol-5-amine?
The canonical SMILES for N-methyl-4-(4-methylphenyl)sulfonyl-2-propyl-1,3-oxazol-5-amine is CCCc1nc(S(=O)(=O)c2ccc(C)cc2)c(NC)o1.
What is the InChIKey of N-methyl-4-(4-methylphenyl)sulfonyl-2-propyl-1,3-oxazol-5-amine?
The InChIKey is QXUWWPMMEVDRKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3S/c1-4-5-12-16-14(13(15-3)19-12)20(17,18)11-8-6-10(2)7-9-11/h6-9,15H,4-5H2,1-3H3.
What are the key properties of N-methyl-4-(4-methylphenyl)sulfonyl-2-propyl-1,3-oxazol-5-amine?
N-methyl-4-(4-methylphenyl)sulfonyl-2-propyl-1,3-oxazol-5-amine has a molecular weight of 294.38 g/mol, XLogP of 2.81, 5 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-propyl-1,3-oxazol-5-amine is sourced from PubChem (CID 673780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).