(5-cyclopropyl-1,2-oxazol-4-yl)-[3-(2-methoxyethoxy)-2-methylsulfinylphenyl]methanone

C17H19NO5S — CID 54490897

IUPAC(5-cyclopropyl-1,2-oxazol-4-yl)-[3-(2-methoxyethoxy)-2-methylsulfinylphenyl]methanone
SMILESCOCCOc1cccc(C(=O)c2cnoc2C2CC2)c1S(C)=O
InChIInChI=1S/C17H19NO5S/c1-21-8-9-22-14-5-3-4-12(17(14)24(2)20)15(19)13-10-18-23-16(13)11-6-7-11/h3-5,10-11H,6-9H2,1-2H3
InChIKeyXVQJRXGZXRQBJO-UHFFFAOYSA-N
MW349.41 g/mol
LogP2.55
Rot. Bonds8

About (5-cyclopropyl-1,2-oxazol-4-yl)-[3-(2-methoxyethoxy)-2-methylsulfinylphenyl]methanone

(5-cyclopropyl-1,2-oxazol-4-yl)-[3-(2-methoxyethoxy)-2-methylsulfinylphenyl]methanone (PubChem CID 54490897) has the molecular formula C17H19NO5S and a molecular weight of 349.41 g/mol. Its IUPAC name is (5-cyclopropyl-1,2-oxazol-4-yl)-[3-(2-methoxyethoxy)-2-methylsulfinylphenyl]methanone.

Molecular Properties

Compound Name(5-cyclopropyl-1,2-oxazol-4-yl)-[3-(2-methoxyethoxy)-2-methylsulfinylphenyl]methanone
PubChem CID54490897
Molecular FormulaC17H19NO5S
Molecular Weight349.41 g/mol
Exact Mass349.10
IUPAC Name(5-cyclopropyl-1,2-oxazol-4-yl)-[3-(2-methoxyethoxy)-2-methylsulfinylphenyl]methanone
SMILESCOCCOc1cccc(C(=O)c2cnoc2C2CC2)c1S(C)=O
InChIInChI=1S/C17H19NO5S/c1-21-8-9-22-14-5-3-4-12(17(14)24(2)20)15(19)13-10-18-23-16(13)11-6-7-11/h3-5,10-11H,6-9H2,1-2H3
InChIKeyXVQJRXGZXRQBJO-UHFFFAOYSA-N
XLogP2.55
TPSA78.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.41
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(5-cyclopropyl-1,2-oxazol-4-yl)-(2-methoxy-3-pyridinyl)methanone
CID 18996933
methyl N-[2-(5-cyclopropyl-1,2-oxazole-4-carbonyl)phenyl]-N-ethylcarbamate
CID 22620958
(5-cyclopropyl-1,2-oxazol-4-yl)-[4-ethylsulfinyl-2-(trifluoromethyl)phenyl]methanone
CID 54406836
[4-chloro-2-methoxy-3-(methylsulfonylmethyl)phenyl]-(5-cyclopropyl-1,2-oxazol-4-yl)methanone
CID 18950291
(5-cyclopropyl-1,2-oxazol-4-yl)-(4-methoxy-3-methylsulfonylphenyl)methanone
CID 22072925
(5-cyclopropyl-1,2-oxazol-4-yl)-(2-fluoro-4-methylsulfonylphenyl)methanone
CID 54030727
[2-(5-cyclopropyl-1,2-oxazole-4-carbonyl)-5-(trifluoromethyl)phenyl]methyl sulfite
CID 174323356
[6-(5-cyclopropyl-1,2-oxazole-4-carbonyl)-2,3-dihydro-1,4-benzodioxin-5-yl]methanesulfinate
CID 174267589
[2-bromo-4-(methylsulfanylmethyl)phenyl]-(5-cyclopropyl-1,2-oxazol-4-yl)methanone
CID 18950337
(5-cyclopropyl-1,2-oxazol-4-yl)-[1-ethyl-3-(trifluoromethyl)pyrazol-4-yl]methanone
CID 18996942
(4-chloro-2-ethylsulfonylphenyl)-(5-cyclopropyl-1,2-oxazol-4-yl)methanone
CID 54042832
methyl N-[2,3-dibromo-6-(5-cyclopropyl-1,2-oxazole-4-carbonyl)phenyl]-N-ethylcarbamate
CID 22621129

Frequently Asked Questions

What is the IUPAC name of (5-cyclopropyl-1,2-oxazol-4-yl)-[3-(2-methoxyethoxy)-2-methylsulfinylphenyl]methanone?
The IUPAC name of (5-cyclopropyl-1,2-oxazol-4-yl)-[3-(2-methoxyethoxy)-2-methylsulfinylphenyl]methanone (CID 54490897) is (5-cyclopropyl-1,2-oxazol-4-yl)-[3-(2-methoxyethoxy)-2-methylsulfinylphenyl]methanone.
What is the SMILES notation for (5-cyclopropyl-1,2-oxazol-4-yl)-[3-(2-methoxyethoxy)-2-methylsulfinylphenyl]methanone?
The canonical SMILES for (5-cyclopropyl-1,2-oxazol-4-yl)-[3-(2-methoxyethoxy)-2-methylsulfinylphenyl]methanone is COCCOc1cccc(C(=O)c2cnoc2C2CC2)c1S(C)=O.
What is the InChIKey of (5-cyclopropyl-1,2-oxazol-4-yl)-[3-(2-methoxyethoxy)-2-methylsulfinylphenyl]methanone?
The InChIKey is XVQJRXGZXRQBJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO5S/c1-21-8-9-22-14-5-3-4-12(17(14)24(2)20)15(19)13-10-18-23-16(13)11-6-7-11/h3-5,10-11H,6-9H2,1-2H3.
What are the key properties of (5-cyclopropyl-1,2-oxazol-4-yl)-[3-(2-methoxyethoxy)-2-methylsulfinylphenyl]methanone?
(5-cyclopropyl-1,2-oxazol-4-yl)-[3-(2-methoxyethoxy)-2-methylsulfinylphenyl]methanone has a molecular weight of 349.41 g/mol, XLogP of 2.55, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5-cyclopropyl-1,2-oxazol-4-yl)-[3-(2-methoxyethoxy)-2-methylsulfinylphenyl]methanone is sourced from PubChem (CID 54490897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).