2-(oxolan-2-yl)-N-[(3-phenyl-1,2-oxazol-5-yl)methylsulfonyl]acetamide

C16H18N2O5S — CID 56800236

IUPAC2-(oxolan-2-yl)-N-[(3-phenyl-1,2-oxazol-5-yl)methylsulfonyl]acetamide
SMILESO=C(CC1CCCO1)NS(=O)(=O)Cc1cc(-c2ccccc2)no1
InChIInChI=1S/C16H18N2O5S/c19-16(10-13-7-4-8-22-13)18-24(20,21)11-14-9-15(17-23-14)12-5-2-1-3-6-12/h1-3,5-6,9,13H,4,7-8,10-11H2,(H,18,19)
InChIKeyGORJYVJOPHNDCI-UHFFFAOYSA-N
MW350.40 g/mol
LogP1.86
Rot. Bonds6

About 2-(oxolan-2-yl)-N-[(3-phenyl-1,2-oxazol-5-yl)methylsulfonyl]acetamide

2-(oxolan-2-yl)-N-[(3-phenyl-1,2-oxazol-5-yl)methylsulfonyl]acetamide (PubChem CID 56800236) has the molecular formula C16H18N2O5S and a molecular weight of 350.40 g/mol. Its IUPAC name is 2-(oxolan-2-yl)-N-[(3-phenyl-1,2-oxazol-5-yl)methylsulfonyl]acetamide.

Molecular Properties

Compound Name2-(oxolan-2-yl)-N-[(3-phenyl-1,2-oxazol-5-yl)methylsulfonyl]acetamide
PubChem CID56800236
Molecular FormulaC16H18N2O5S
Molecular Weight350.40 g/mol
Exact Mass350.09
IUPAC Name2-(oxolan-2-yl)-N-[(3-phenyl-1,2-oxazol-5-yl)methylsulfonyl]acetamide
SMILESO=C(CC1CCCO1)NS(=O)(=O)Cc1cc(-c2ccccc2)no1
InChIInChI=1S/C16H18N2O5S/c19-16(10-13-7-4-8-22-13)18-24(20,21)11-14-9-15(17-23-14)12-5-2-1-3-6-12/h1-3,5-6,9,13H,4,7-8,10-11H2,(H,18,19)
InChIKeyGORJYVJOPHNDCI-UHFFFAOYSA-N
XLogP1.86
TPSA98.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.40
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(3-phenyl-1,2-oxazol-5-yl)methyl 4-[[(2S)-oxolan-2-yl]methoxy]benzoate
CID 37142164
(2R)-N-cyclopropyl-2-[(3-phenyl-1,2-oxazol-5-yl)methylsulfonyl]propanamide
CID 94087908
2-[(2R)-oxolan-2-yl]-N-(5-phenyl-2-pyridinyl)acetamide
CID 129403217
N-[[(2R)-oxan-2-yl]methylsulfonyl]-2-(2-phenyl-1,3-thiazol-4-yl)acetamide
CID 98284648
N-(2-benzylsulfonylethyl)-2-[(2S)-oxolan-2-yl]acetamide
CID 94175675
N-methyl-1-[(2R)-oxan-2-yl]-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]methanamine
CID 99613583
3-(4-fluorophenyl)-N-[[(2R)-oxolan-2-yl]methyl]-1,2-oxazole-5-carboxamide
CID 40649827
2-(oxolan-2-yl)-N-pyridin-2-ylacetamide
CID 110696665
3-[[2-(oxolan-2-yl)acetyl]amino]-2-phenylpropanoic acid
CID 65157429
N-(2-chloro-2-phenylethyl)-2-(oxolan-2-yl)acetamide
CID 113271343
2-cyclopent-2-en-1-yl-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]acetamide
CID 71941652
N-[5-(3-fluorophenyl)-1,2-oxazol-3-yl]-2-(oxolan-2-yl)acetamide
CID 154755202

Frequently Asked Questions

What is the IUPAC name of 2-(oxolan-2-yl)-N-[(3-phenyl-1,2-oxazol-5-yl)methylsulfonyl]acetamide?
The IUPAC name of 2-(oxolan-2-yl)-N-[(3-phenyl-1,2-oxazol-5-yl)methylsulfonyl]acetamide (CID 56800236) is 2-(oxolan-2-yl)-N-[(3-phenyl-1,2-oxazol-5-yl)methylsulfonyl]acetamide.
What is the SMILES notation for 2-(oxolan-2-yl)-N-[(3-phenyl-1,2-oxazol-5-yl)methylsulfonyl]acetamide?
The canonical SMILES for 2-(oxolan-2-yl)-N-[(3-phenyl-1,2-oxazol-5-yl)methylsulfonyl]acetamide is O=C(CC1CCCO1)NS(=O)(=O)Cc1cc(-c2ccccc2)no1.
What is the InChIKey of 2-(oxolan-2-yl)-N-[(3-phenyl-1,2-oxazol-5-yl)methylsulfonyl]acetamide?
The InChIKey is GORJYVJOPHNDCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O5S/c19-16(10-13-7-4-8-22-13)18-24(20,21)11-14-9-15(17-23-14)12-5-2-1-3-6-12/h1-3,5-6,9,13H,4,7-8,10-11H2,(H,18,19).
What are the key properties of 2-(oxolan-2-yl)-N-[(3-phenyl-1,2-oxazol-5-yl)methylsulfonyl]acetamide?
2-(oxolan-2-yl)-N-[(3-phenyl-1,2-oxazol-5-yl)methylsulfonyl]acetamide has a molecular weight of 350.40 g/mol, XLogP of 1.86, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxolan-2-yl)-N-[(3-phenyl-1,2-oxazol-5-yl)methylsulfonyl]acetamide is sourced from PubChem (CID 56800236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).