3-benzyl-6-morpholin-4-ylsulfonyl-1,3-benzoxazol-2-one

C18H18N2O5S — CID 19259782

IUPAC3-benzyl-6-morpholin-4-ylsulfonyl-1,3-benzoxazol-2-one
SMILESO=c1oc2cc(S(=O)(=O)N3CCOCC3)ccc2n1Cc1ccccc1
InChIInChI=1S/C18H18N2O5S/c21-18-20(13-14-4-2-1-3-5-14)16-7-6-15(12-17(16)25-18)26(22,23)19-8-10-24-11-9-19/h1-7,12H,8-11,13H2
InChIKeyDEJRVUXIOFHEID-UHFFFAOYSA-N
MW374.42 g/mol
LogP1.66
Rot. Bonds4

About 3-benzyl-6-morpholin-4-ylsulfonyl-1,3-benzoxazol-2-one

3-benzyl-6-morpholin-4-ylsulfonyl-1,3-benzoxazol-2-one (PubChem CID 19259782) has the molecular formula C18H18N2O5S and a molecular weight of 374.42 g/mol. Its IUPAC name is 3-benzyl-6-morpholin-4-ylsulfonyl-1,3-benzoxazol-2-one.

Molecular Properties

Compound Name3-benzyl-6-morpholin-4-ylsulfonyl-1,3-benzoxazol-2-one
PubChem CID19259782
Molecular FormulaC18H18N2O5S
Molecular Weight374.42 g/mol
Exact Mass374.09
IUPAC Name3-benzyl-6-morpholin-4-ylsulfonyl-1,3-benzoxazol-2-one
SMILESO=c1oc2cc(S(=O)(=O)N3CCOCC3)ccc2n1Cc1ccccc1
InChIInChI=1S/C18H18N2O5S/c21-18-20(13-14-4-2-1-3-5-14)16-7-6-15(12-17(16)25-18)26(22,23)19-8-10-24-11-9-19/h1-7,12H,8-11,13H2
InChIKeyDEJRVUXIOFHEID-UHFFFAOYSA-N
XLogP1.66
TPSA81.75 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.42
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-benzyl-6-pyrrolidin-1-ylsulfonyl-1,3-benzoxazol-2-one
CID 19259718
3-benzyl-6-morpholin-4-ylsulfonyl-1,3-benzothiazol-2-one
CID 100739592
N,N-dimethyl-2-(6-morpholin-4-ylsulfonyl-2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 19259985
3-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-6-morpholin-4-ylsulfonyl-1,3-benzoxazol-2-one
CID 53006821
3-(2-morpholin-4-yl-2-oxoethyl)-6-pyrrolidin-1-ylsulfonyl-1,3-benzoxazol-2-one
CID 19259995
3-[(2-chlorophenyl)methyl]-6-(4-methylpiperidin-1-yl)sulfonyl-1,3-benzoxazol-2-one
CID 19259853
4-[3-[(4-benzylpiperazin-1-yl)methyl]phenyl]sulfonylmorpholine
CID 8902409
3-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]-6-morpholin-4-ylsulfonyl-1,3-benzoxazol-2-one
CID 53298160
6-morpholin-4-ylsulfonyl-3-[2-(4-nitrophenyl)-2-oxoethyl]-1,3-benzoxazol-2-one
CID 19259809
N-(4-ethylphenyl)-2-(6-morpholin-4-ylsulfonyl-2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 5307802
N-cyclooctyl-2-(6-morpholin-4-ylsulfonyl-2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 20876154
2-[6-(azepan-1-ylsulfonyl)-2-oxo-1,3-benzoxazol-3-yl]acetic acid
CID 3672745

Frequently Asked Questions

What is the IUPAC name of 3-benzyl-6-morpholin-4-ylsulfonyl-1,3-benzoxazol-2-one?
The IUPAC name of 3-benzyl-6-morpholin-4-ylsulfonyl-1,3-benzoxazol-2-one (CID 19259782) is 3-benzyl-6-morpholin-4-ylsulfonyl-1,3-benzoxazol-2-one.
What is the SMILES notation for 3-benzyl-6-morpholin-4-ylsulfonyl-1,3-benzoxazol-2-one?
The canonical SMILES for 3-benzyl-6-morpholin-4-ylsulfonyl-1,3-benzoxazol-2-one is O=c1oc2cc(S(=O)(=O)N3CCOCC3)ccc2n1Cc1ccccc1.
What is the InChIKey of 3-benzyl-6-morpholin-4-ylsulfonyl-1,3-benzoxazol-2-one?
The InChIKey is DEJRVUXIOFHEID-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O5S/c21-18-20(13-14-4-2-1-3-5-14)16-7-6-15(12-17(16)25-18)26(22,23)19-8-10-24-11-9-19/h1-7,12H,8-11,13H2.
What are the key properties of 3-benzyl-6-morpholin-4-ylsulfonyl-1,3-benzoxazol-2-one?
3-benzyl-6-morpholin-4-ylsulfonyl-1,3-benzoxazol-2-one has a molecular weight of 374.42 g/mol, XLogP of 1.66, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-6-morpholin-4-ylsulfonyl-1,3-benzoxazol-2-one is sourced from PubChem (CID 19259782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).