(5-methyl-1,2-oxazol-3-yl)methyl 2-methoxy-5-morpholin-4-ylsulfonylbenzoate

C17H20N2O7S — CID 7644571

IUPAC(5-methyl-1,2-oxazol-3-yl)methyl 2-methoxy-5-morpholin-4-ylsulfonylbenzoate
SMILESCOc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)OCc1cc(C)on1
InChIInChI=1S/C17H20N2O7S/c1-12-9-13(18-26-12)11-25-17(20)15-10-14(3-4-16(15)23-2)27(21,22)19-5-7-24-8-6-19/h3-4,9-10H,5-8,11H2,1-2H3
InChIKeyVOWRFRJOYWYBLQ-UHFFFAOYSA-N
MW396.42 g/mol
LogP1.37
Rot. Bonds6

About (5-methyl-1,2-oxazol-3-yl)methyl 2-methoxy-5-morpholin-4-ylsulfonylbenzoate

(5-methyl-1,2-oxazol-3-yl)methyl 2-methoxy-5-morpholin-4-ylsulfonylbenzoate (PubChem CID 7644571) has the molecular formula C17H20N2O7S and a molecular weight of 396.42 g/mol. Its IUPAC name is (5-methyl-1,2-oxazol-3-yl)methyl 2-methoxy-5-morpholin-4-ylsulfonylbenzoate.

Molecular Properties

Compound Name(5-methyl-1,2-oxazol-3-yl)methyl 2-methoxy-5-morpholin-4-ylsulfonylbenzoate
PubChem CID7644571
Molecular FormulaC17H20N2O7S
Molecular Weight396.42 g/mol
Exact Mass396.10
IUPAC Name(5-methyl-1,2-oxazol-3-yl)methyl 2-methoxy-5-morpholin-4-ylsulfonylbenzoate
SMILESCOc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)OCc1cc(C)on1
InChIInChI=1S/C17H20N2O7S/c1-12-9-13(18-26-12)11-25-17(20)15-10-14(3-4-16(15)23-2)27(21,22)19-5-7-24-8-6-19/h3-4,9-10H,5-8,11H2,1-2H3
InChIKeyVOWRFRJOYWYBLQ-UHFFFAOYSA-N
XLogP1.37
TPSA108.17 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.42
LogP ≤ 51.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

(5-methyl-1,2-oxazol-3-yl)methyl 5-(2,3-dihydroindol-1-ylsulfonyl)-2-methoxybenzoate
CID 28583082
(2-oxo-2-pyrrolidin-1-ylethyl) 2-methoxy-5-morpholin-4-ylsulfonylbenzoate
CID 8543760
(5-methyl-1,2-oxazol-3-yl)methyl 4-piperidin-1-ylsulfonylbenzoate
CID 8937003
(4-methoxyphenyl)methyl 2-chloro-5-morpholin-4-ylsulfonylbenzoate
CID 16578079
(3-morpholin-4-ylsulfonylphenyl)methyl 2-methoxybenzoate
CID 7811749
(3,5-dimethyl-1,2-oxazol-4-yl)methyl 2-chloro-5-morpholin-4-ylsulfonylbenzoate
CID 4012581
(5-acetyl-2-methoxyphenyl)methyl 2-chloro-5-morpholin-4-ylsulfonylbenzoate
CID 3513631
[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl 2-methyl-5-morpholin-4-ylsulfonylbenzoate
CID 16528770
N-(3-aminopropyl)-2-methoxy-5-morpholin-4-ylsulfonylbenzamide;hydrochloride
CID 119405950
ethyl 2-chloro-5-[(2-methoxy-5-morpholin-4-ylsulfonylbenzoyl)amino]benzoate
CID 46764473
2-methoxy-N'-(4-methoxybenzoyl)-5-morpholin-4-ylsulfonylbenzohydrazide
CID 24536047
2-methoxy-N-(5-methyl-1,2-oxazol-3-yl)-5-pyrrolidin-1-ylsulfonylbenzamide
CID 7223581

Frequently Asked Questions

What is the IUPAC name of (5-methyl-1,2-oxazol-3-yl)methyl 2-methoxy-5-morpholin-4-ylsulfonylbenzoate?
The IUPAC name of (5-methyl-1,2-oxazol-3-yl)methyl 2-methoxy-5-morpholin-4-ylsulfonylbenzoate (CID 7644571) is (5-methyl-1,2-oxazol-3-yl)methyl 2-methoxy-5-morpholin-4-ylsulfonylbenzoate.
What is the SMILES notation for (5-methyl-1,2-oxazol-3-yl)methyl 2-methoxy-5-morpholin-4-ylsulfonylbenzoate?
The canonical SMILES for (5-methyl-1,2-oxazol-3-yl)methyl 2-methoxy-5-morpholin-4-ylsulfonylbenzoate is COc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)OCc1cc(C)on1.
What is the InChIKey of (5-methyl-1,2-oxazol-3-yl)methyl 2-methoxy-5-morpholin-4-ylsulfonylbenzoate?
The InChIKey is VOWRFRJOYWYBLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O7S/c1-12-9-13(18-26-12)11-25-17(20)15-10-14(3-4-16(15)23-2)27(21,22)19-5-7-24-8-6-19/h3-4,9-10H,5-8,11H2,1-2H3.
What are the key properties of (5-methyl-1,2-oxazol-3-yl)methyl 2-methoxy-5-morpholin-4-ylsulfonylbenzoate?
(5-methyl-1,2-oxazol-3-yl)methyl 2-methoxy-5-morpholin-4-ylsulfonylbenzoate has a molecular weight of 396.42 g/mol, XLogP of 1.37, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methyl-1,2-oxazol-3-yl)methyl 2-methoxy-5-morpholin-4-ylsulfonylbenzoate is sourced from PubChem (CID 7644571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).