4-[4-(4-methylphenyl)sulfonyl-1,3-oxazol-5-yl]morpholine

C14H16N2O4S — CID 2147168

IUPAC4-[4-(4-methylphenyl)sulfonyl-1,3-oxazol-5-yl]morpholine
SMILESCc1ccc(S(=O)(=O)c2ncoc2N2CCOCC2)cc1
InChIInChI=1S/C14H16N2O4S/c1-11-2-4-12(5-3-11)21(17,18)13-14(20-10-15-13)16-6-8-19-9-7-16/h2-5,10H,6-9H2,1H3
InChIKeyNPBZEMJCPFTZST-UHFFFAOYSA-N
MW308.36 g/mol
LogP1.65
Rot. Bonds3

About 4-[4-(4-methylphenyl)sulfonyl-1,3-oxazol-5-yl]morpholine

4-[4-(4-methylphenyl)sulfonyl-1,3-oxazol-5-yl]morpholine (PubChem CID 2147168) has the molecular formula C14H16N2O4S and a molecular weight of 308.36 g/mol. Its IUPAC name is 4-[4-(4-methylphenyl)sulfonyl-1,3-oxazol-5-yl]morpholine.

Molecular Properties

Compound Name4-[4-(4-methylphenyl)sulfonyl-1,3-oxazol-5-yl]morpholine
PubChem CID2147168
Molecular FormulaC14H16N2O4S
Molecular Weight308.36 g/mol
Exact Mass308.08
IUPAC Name4-[4-(4-methylphenyl)sulfonyl-1,3-oxazol-5-yl]morpholine
SMILESCc1ccc(S(=O)(=O)c2ncoc2N2CCOCC2)cc1
InChIInChI=1S/C14H16N2O4S/c1-11-2-4-12(5-3-11)21(17,18)13-14(20-10-15-13)16-6-8-19-9-7-16/h2-5,10H,6-9H2,1H3
InChIKeyNPBZEMJCPFTZST-UHFFFAOYSA-N
XLogP1.65
TPSA72.64 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.36
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(4-methylphenyl)sulfonyl-1,3-oxazol-5-yl]morpholine?
The IUPAC name of 4-[4-(4-methylphenyl)sulfonyl-1,3-oxazol-5-yl]morpholine (CID 2147168) is 4-[4-(4-methylphenyl)sulfonyl-1,3-oxazol-5-yl]morpholine.
What is the SMILES notation for 4-[4-(4-methylphenyl)sulfonyl-1,3-oxazol-5-yl]morpholine?
The canonical SMILES for 4-[4-(4-methylphenyl)sulfonyl-1,3-oxazol-5-yl]morpholine is Cc1ccc(S(=O)(=O)c2ncoc2N2CCOCC2)cc1.
What is the InChIKey of 4-[4-(4-methylphenyl)sulfonyl-1,3-oxazol-5-yl]morpholine?
The InChIKey is NPBZEMJCPFTZST-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O4S/c1-11-2-4-12(5-3-11)21(17,18)13-14(20-10-15-13)16-6-8-19-9-7-16/h2-5,10H,6-9H2,1H3.
What are the key properties of 4-[4-(4-methylphenyl)sulfonyl-1,3-oxazol-5-yl]morpholine?
4-[4-(4-methylphenyl)sulfonyl-1,3-oxazol-5-yl]morpholine has a molecular weight of 308.36 g/mol, XLogP of 1.65, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4-methylphenyl)sulfonyl-1,3-oxazol-5-yl]morpholine is sourced from PubChem (CID 2147168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).