4-[4-(benzenesulfonyl)-2-phenyl-1,3-oxazol-5-yl]morpholine

C19H18N2O4S — CID 1110868

IUPAC4-[4-(benzenesulfonyl)-2-phenyl-1,3-oxazol-5-yl]morpholine
SMILESO=S(=O)(c1ccccc1)c1nc(-c2ccccc2)oc1N1CCOCC1
InChIInChI=1S/C19H18N2O4S/c22-26(23,16-9-5-2-6-10-16)18-19(21-11-13-24-14-12-21)25-17(20-18)15-7-3-1-4-8-15/h1-10H,11-14H2
InChIKeySXKOSUSBZLANOA-UHFFFAOYSA-N
MW370.43 g/mol
LogP3.01
Rot. Bonds4

About 4-[4-(benzenesulfonyl)-2-phenyl-1,3-oxazol-5-yl]morpholine

4-[4-(benzenesulfonyl)-2-phenyl-1,3-oxazol-5-yl]morpholine (PubChem CID 1110868) has the molecular formula C19H18N2O4S and a molecular weight of 370.43 g/mol. Its IUPAC name is 4-[4-(benzenesulfonyl)-2-phenyl-1,3-oxazol-5-yl]morpholine.

Molecular Properties

Compound Name4-[4-(benzenesulfonyl)-2-phenyl-1,3-oxazol-5-yl]morpholine
PubChem CID1110868
Molecular FormulaC19H18N2O4S
Molecular Weight370.43 g/mol
Exact Mass370.10
IUPAC Name4-[4-(benzenesulfonyl)-2-phenyl-1,3-oxazol-5-yl]morpholine
SMILESO=S(=O)(c1ccccc1)c1nc(-c2ccccc2)oc1N1CCOCC1
InChIInChI=1S/C19H18N2O4S/c22-26(23,16-9-5-2-6-10-16)18-19(21-11-13-24-14-12-21)25-17(20-18)15-7-3-1-4-8-15/h1-10H,11-14H2
InChIKeySXKOSUSBZLANOA-UHFFFAOYSA-N
XLogP3.01
TPSA72.64 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.43
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(benzenesulfonyl)-2-phenyl-1,3-oxazol-5-yl]morpholine?
The IUPAC name of 4-[4-(benzenesulfonyl)-2-phenyl-1,3-oxazol-5-yl]morpholine (CID 1110868) is 4-[4-(benzenesulfonyl)-2-phenyl-1,3-oxazol-5-yl]morpholine.
What is the SMILES notation for 4-[4-(benzenesulfonyl)-2-phenyl-1,3-oxazol-5-yl]morpholine?
The canonical SMILES for 4-[4-(benzenesulfonyl)-2-phenyl-1,3-oxazol-5-yl]morpholine is O=S(=O)(c1ccccc1)c1nc(-c2ccccc2)oc1N1CCOCC1.
What is the InChIKey of 4-[4-(benzenesulfonyl)-2-phenyl-1,3-oxazol-5-yl]morpholine?
The InChIKey is SXKOSUSBZLANOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O4S/c22-26(23,16-9-5-2-6-10-16)18-19(21-11-13-24-14-12-21)25-17(20-18)15-7-3-1-4-8-15/h1-10H,11-14H2.
What are the key properties of 4-[4-(benzenesulfonyl)-2-phenyl-1,3-oxazol-5-yl]morpholine?
4-[4-(benzenesulfonyl)-2-phenyl-1,3-oxazol-5-yl]morpholine has a molecular weight of 370.43 g/mol, XLogP of 3.01, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(benzenesulfonyl)-2-phenyl-1,3-oxazol-5-yl]morpholine is sourced from PubChem (CID 1110868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).