3-methyl-5-(2-phenylmorpholin-4-yl)sulfonyl-1,3-benzoxazol-2-one

C18H18N2O5S — CID 71806101

IUPAC3-methyl-5-(2-phenylmorpholin-4-yl)sulfonyl-1,3-benzoxazol-2-one
SMILESCn1c(=O)oc2ccc(S(=O)(=O)N3CCOC(c4ccccc4)C3)cc21
InChIInChI=1S/C18H18N2O5S/c1-19-15-11-14(7-8-16(15)25-18(19)21)26(22,23)20-9-10-24-17(12-20)13-5-3-2-4-6-13/h2-8,11,17H,9-10,12H2,1H3
InChIKeyVPBFWWIWROPXSX-UHFFFAOYSA-N
MW374.42 g/mol
LogP1.89
Rot. Bonds3

About 3-methyl-5-(2-phenylmorpholin-4-yl)sulfonyl-1,3-benzoxazol-2-one

3-methyl-5-(2-phenylmorpholin-4-yl)sulfonyl-1,3-benzoxazol-2-one (PubChem CID 71806101) has the molecular formula C18H18N2O5S and a molecular weight of 374.42 g/mol. Its IUPAC name is 3-methyl-5-(2-phenylmorpholin-4-yl)sulfonyl-1,3-benzoxazol-2-one.

Molecular Properties

Compound Name3-methyl-5-(2-phenylmorpholin-4-yl)sulfonyl-1,3-benzoxazol-2-one
PubChem CID71806101
Molecular FormulaC18H18N2O5S
Molecular Weight374.42 g/mol
Exact Mass374.09
IUPAC Name3-methyl-5-(2-phenylmorpholin-4-yl)sulfonyl-1,3-benzoxazol-2-one
SMILESCn1c(=O)oc2ccc(S(=O)(=O)N3CCOC(c4ccccc4)C3)cc21
InChIInChI=1S/C18H18N2O5S/c1-19-15-11-14(7-8-16(15)25-18(19)21)26(22,23)20-9-10-24-17(12-20)13-5-3-2-4-6-13/h2-8,11,17H,9-10,12H2,1H3
InChIKeyVPBFWWIWROPXSX-UHFFFAOYSA-N
XLogP1.89
TPSA81.75 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.42
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-methyl-6-(2-methylmorpholin-4-yl)sulfonyl-1,3-benzoxazol-2-one
CID 110292469
3-methyl-5-(3-methylsulfonylpyrrolidin-1-yl)sulfonyl-1,3-benzoxazol-2-one
CID 90587052
(2S)-4-(3-chlorophenyl)sulfonyl-2-phenylmorpholine
CID 51696505
3-methyl-6-(4-methyl-3-phenylpiperazin-1-yl)sulfonyl-1,3-benzoxazol-2-one
CID 110602902
(2S)-4-(1-methylpyrazol-4-yl)sulfonyl-2-phenylmorpholine
CID 96545659
(2S)-4-(4-ethoxy-3-methylphenyl)sulfonyl-2-phenylmorpholine
CID 25281418
2-(4-methylphenyl)-4-(4-methylphenyl)sulfonylmorpholine
CID 110326567
4-(2-ethoxy-5-methylphenyl)sulfonyl-2-phenylmorpholine
CID 16895275
4-(benzenesulfonyl)-2-(4-ethylphenyl)morpholine
CID 110364047
5-[3-(4-fluorophenyl)sulfonylazetidin-1-yl]sulfonyl-3-methyl-1,3-benzoxazol-2-one
CID 90593251
(2R)-4-(5-chloro-2-methoxyphenyl)sulfonyl-2-phenylmorpholine
CID 42109148
6-[(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]sulfonyl-3-methyl-1,3-benzoxazol-2-one
CID 79411361

Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-(2-phenylmorpholin-4-yl)sulfonyl-1,3-benzoxazol-2-one?
The IUPAC name of 3-methyl-5-(2-phenylmorpholin-4-yl)sulfonyl-1,3-benzoxazol-2-one (CID 71806101) is 3-methyl-5-(2-phenylmorpholin-4-yl)sulfonyl-1,3-benzoxazol-2-one.
What is the SMILES notation for 3-methyl-5-(2-phenylmorpholin-4-yl)sulfonyl-1,3-benzoxazol-2-one?
The canonical SMILES for 3-methyl-5-(2-phenylmorpholin-4-yl)sulfonyl-1,3-benzoxazol-2-one is Cn1c(=O)oc2ccc(S(=O)(=O)N3CCOC(c4ccccc4)C3)cc21.
What is the InChIKey of 3-methyl-5-(2-phenylmorpholin-4-yl)sulfonyl-1,3-benzoxazol-2-one?
The InChIKey is VPBFWWIWROPXSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O5S/c1-19-15-11-14(7-8-16(15)25-18(19)21)26(22,23)20-9-10-24-17(12-20)13-5-3-2-4-6-13/h2-8,11,17H,9-10,12H2,1H3.
What are the key properties of 3-methyl-5-(2-phenylmorpholin-4-yl)sulfonyl-1,3-benzoxazol-2-one?
3-methyl-5-(2-phenylmorpholin-4-yl)sulfonyl-1,3-benzoxazol-2-one has a molecular weight of 374.42 g/mol, XLogP of 1.89, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-(2-phenylmorpholin-4-yl)sulfonyl-1,3-benzoxazol-2-one is sourced from PubChem (CID 71806101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).