2-[[2-(2-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfinyl]-N-(3-propan-2-yloxypropyl)acetamide

C19H25FN2O4S — CID 20860400

IUPAC2-[[2-(2-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfinyl]-N-(3-propan-2-yloxypropyl)acetamide
SMILESCc1oc(-c2ccccc2F)nc1CS(=O)CC(=O)NCCCOC(C)C
InChIInChI=1S/C19H25FN2O4S/c1-13(2)25-10-6-9-21-18(23)12-27(24)11-17-14(3)26-19(22-17)15-7-4-5-8-16(15)20/h4-5,7-8,13H,6,9-12H2,1-3H3,(H,21,23)
InChIKeyZYMNXGSPNOVYKP-UHFFFAOYSA-N
MW396.48 g/mol
LogP2.97
Rot. Bonds10

About 2-[[2-(2-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfinyl]-N-(3-propan-2-yloxypropyl)acetamide

2-[[2-(2-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfinyl]-N-(3-propan-2-yloxypropyl)acetamide (PubChem CID 20860400) has the molecular formula C19H25FN2O4S and a molecular weight of 396.48 g/mol. Its IUPAC name is 2-[[2-(2-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfinyl]-N-(3-propan-2-yloxypropyl)acetamide.

Molecular Properties

Compound Name2-[[2-(2-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfinyl]-N-(3-propan-2-yloxypropyl)acetamide
PubChem CID20860400
Molecular FormulaC19H25FN2O4S
Molecular Weight396.48 g/mol
Exact Mass396.15
IUPAC Name2-[[2-(2-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfinyl]-N-(3-propan-2-yloxypropyl)acetamide
SMILESCc1oc(-c2ccccc2F)nc1CS(=O)CC(=O)NCCCOC(C)C
InChIInChI=1S/C19H25FN2O4S/c1-13(2)25-10-6-9-21-18(23)12-27(24)11-17-14(3)26-19(22-17)15-7-4-5-8-16(15)20/h4-5,7-8,13H,6,9-12H2,1-3H3,(H,21,23)
InChIKeyZYMNXGSPNOVYKP-UHFFFAOYSA-N
XLogP2.97
TPSA81.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.48
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[[2-(4-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfinyl]-N-(3-methoxypropyl)acetamide
CID 20860380
2-[[2-(2-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfinyl]-N-(2-phenylethyl)acetamide
CID 20860530
2-[[2-(4-ethylphenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfinyl]-N-(3-methoxypropyl)acetamide
CID 5075482
N-[2-[2-(2-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]ethyl]-2-phenylacetamide
CID 110641249
N-[2-[[2-[2-(2-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]acetyl]amino]ethyl]benzamide
CID 110354604
N-(2-methoxyethyl)-2-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methylsulfinyl]acetamide
CID 20860604
2-[[2-(3,4-dimethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfinyl]-N-(3-ethoxypropyl)acetamide
CID 20860569
2-[(R)-(2-chloro-4-fluorophenyl)methylsulfinyl]-N-(3-propan-2-yloxypropyl)acetamide
CID 95599354
2-[(R)-(3-chlorophenyl)methylsulfinyl]-N-(3-propan-2-yloxypropyl)acetamide
CID 95599438
2-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methylsulfonyl]-N-(3-propan-2-yloxypropyl)acetamide
CID 20860662
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(R)-(5-methyl-2-phenyl-1,3-oxazol-4-yl)methylsulfinyl]acetamide
CID 92662728
2-[[2-(2-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfonyl]-N-[3-(4-methylpiperazin-1-yl)propyl]acetamide
CID 20860841

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(2-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfinyl]-N-(3-propan-2-yloxypropyl)acetamide?
The IUPAC name of 2-[[2-(2-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfinyl]-N-(3-propan-2-yloxypropyl)acetamide (CID 20860400) is 2-[[2-(2-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfinyl]-N-(3-propan-2-yloxypropyl)acetamide.
What is the SMILES notation for 2-[[2-(2-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfinyl]-N-(3-propan-2-yloxypropyl)acetamide?
The canonical SMILES for 2-[[2-(2-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfinyl]-N-(3-propan-2-yloxypropyl)acetamide is Cc1oc(-c2ccccc2F)nc1CS(=O)CC(=O)NCCCOC(C)C.
What is the InChIKey of 2-[[2-(2-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfinyl]-N-(3-propan-2-yloxypropyl)acetamide?
The InChIKey is ZYMNXGSPNOVYKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25FN2O4S/c1-13(2)25-10-6-9-21-18(23)12-27(24)11-17-14(3)26-19(22-17)15-7-4-5-8-16(15)20/h4-5,7-8,13H,6,9-12H2,1-3H3,(H,21,23).
What are the key properties of 2-[[2-(2-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfinyl]-N-(3-propan-2-yloxypropyl)acetamide?
2-[[2-(2-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfinyl]-N-(3-propan-2-yloxypropyl)acetamide has a molecular weight of 396.48 g/mol, XLogP of 2.97, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(2-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfinyl]-N-(3-propan-2-yloxypropyl)acetamide is sourced from PubChem (CID 20860400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).