2-cyclopropyl-N-[(3-phenyl-1,2-oxazol-5-yl)methylsulfonyl]propanamide

C16H18N2O4S — CID 84585738

IUPAC2-cyclopropyl-N-[(3-phenyl-1,2-oxazol-5-yl)methylsulfonyl]propanamide
SMILESCC(C(=O)NS(=O)(=O)Cc1cc(-c2ccccc2)no1)C1CC1
InChIInChI=1S/C16H18N2O4S/c1-11(12-7-8-12)16(19)18-23(20,21)10-14-9-15(17-22-14)13-5-3-2-4-6-13/h2-6,9,11-12H,7-8,10H2,1H3,(H,18,19)
InChIKeyXUJRYZOVZREOPJ-UHFFFAOYSA-N
MW334.40 g/mol
LogP2.33
Rot. Bonds6

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

2-cyclopropyl-N-[(3-phenyl-1,2-oxazol-5-yl)methylsulfonyl]propanamide (PubChem CID 84585738) has the molecular formula C16H18N2O4S and a molecular weight of 334.40 g/mol. Its IUPAC name is 2-cyclopropyl-N-[(3-phenyl-1,2-oxazol-5-yl)methylsulfonyl]propanamide.

Molecular Properties

Compound Name2-cyclopropyl-N-[(3-phenyl-1,2-oxazol-5-yl)methylsulfonyl]propanamide
PubChem CID84585738
Molecular FormulaC16H18N2O4S
Molecular Weight334.40 g/mol
Exact Mass334.10
IUPAC Name2-cyclopropyl-N-[(3-phenyl-1,2-oxazol-5-yl)methylsulfonyl]propanamide
SMILESCC(C(=O)NS(=O)(=O)Cc1cc(-c2ccccc2)no1)C1CC1
InChIInChI=1S/C16H18N2O4S/c1-11(12-7-8-12)16(19)18-23(20,21)10-14-9-15(17-22-14)13-5-3-2-4-6-13/h2-6,9,11-12H,7-8,10H2,1H3,(H,18,19)
InChIKeyXUJRYZOVZREOPJ-UHFFFAOYSA-N
XLogP2.33
TPSA89.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.40
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-N-[(3-phenyl-1,2-oxazol-5-yl)methylsulfonyl]propanamide?
The IUPAC name of 2-cyclopropyl-N-[(3-phenyl-1,2-oxazol-5-yl)methylsulfonyl]propanamide (CID 84585738) is 2-cyclopropyl-N-[(3-phenyl-1,2-oxazol-5-yl)methylsulfonyl]propanamide.
What is the SMILES notation for 2-cyclopropyl-N-[(3-phenyl-1,2-oxazol-5-yl)methylsulfonyl]propanamide?
The canonical SMILES for 2-cyclopropyl-N-[(3-phenyl-1,2-oxazol-5-yl)methylsulfonyl]propanamide is CC(C(=O)NS(=O)(=O)Cc1cc(-c2ccccc2)no1)C1CC1.
What is the InChIKey of 2-cyclopropyl-N-[(3-phenyl-1,2-oxazol-5-yl)methylsulfonyl]propanamide?
The InChIKey is XUJRYZOVZREOPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O4S/c1-11(12-7-8-12)16(19)18-23(20,21)10-14-9-15(17-22-14)13-5-3-2-4-6-13/h2-6,9,11-12H,7-8,10H2,1H3,(H,18,19).
What are the key properties of 2-cyclopropyl-N-[(3-phenyl-1,2-oxazol-5-yl)methylsulfonyl]propanamide?
2-cyclopropyl-N-[(3-phenyl-1,2-oxazol-5-yl)methylsulfonyl]propanamide has a molecular weight of 334.40 g/mol, XLogP of 2.33, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-N-[(3-phenyl-1,2-oxazol-5-yl)methylsulfonyl]propanamide is sourced from PubChem (CID 84585738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).