N-cyclopropyl-N-(2,3-dihydro-1H-inden-2-yl)-1-(1,2-oxazol-3-yl)methanesulfonamide

C16H18N2O3S — CID 71997640

IUPACN-cyclopropyl-N-(2,3-dihydro-1H-inden-2-yl)-1-(1,2-oxazol-3-yl)methanesulfonamide
SMILESO=S(=O)(Cc1ccon1)N(C1CC1)C1Cc2ccccc2C1
InChIInChI=1S/C16H18N2O3S/c19-22(20,11-14-7-8-21-17-14)18(15-5-6-15)16-9-12-3-1-2-4-13(12)10-16/h1-4,7-8,15-16H,5-6,9-11H2
InChIKeyKWUOPDZUYJXOKK-UHFFFAOYSA-N
MW318.40 g/mol
LogP2.14
Rot. Bonds5

About N-cyclopropyl-N-(2,3-dihydro-1H-inden-2-yl)-1-(1,2-oxazol-3-yl)methanesulfonamide

N-cyclopropyl-N-(2,3-dihydro-1H-inden-2-yl)-1-(1,2-oxazol-3-yl)methanesulfonamide (PubChem CID 71997640) has the molecular formula C16H18N2O3S and a molecular weight of 318.40 g/mol. Its IUPAC name is N-cyclopropyl-N-(2,3-dihydro-1H-inden-2-yl)-1-(1,2-oxazol-3-yl)methanesulfonamide.

Molecular Properties

Compound NameN-cyclopropyl-N-(2,3-dihydro-1H-inden-2-yl)-1-(1,2-oxazol-3-yl)methanesulfonamide
PubChem CID71997640
Molecular FormulaC16H18N2O3S
Molecular Weight318.40 g/mol
Exact Mass318.10
IUPAC NameN-cyclopropyl-N-(2,3-dihydro-1H-inden-2-yl)-1-(1,2-oxazol-3-yl)methanesulfonamide
SMILESO=S(=O)(Cc1ccon1)N(C1CC1)C1Cc2ccccc2C1
InChIInChI=1S/C16H18N2O3S/c19-22(20,11-14-7-8-21-17-14)18(15-5-6-15)16-9-12-3-1-2-4-13(12)10-16/h1-4,7-8,15-16H,5-6,9-11H2
InChIKeyKWUOPDZUYJXOKK-UHFFFAOYSA-N
XLogP2.14
TPSA63.41 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.40
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-(2,3-dihydro-1H-inden-2-yl)-1-(1,2-oxazol-3-yl)methanesulfonamide?
The IUPAC name of N-cyclopropyl-N-(2,3-dihydro-1H-inden-2-yl)-1-(1,2-oxazol-3-yl)methanesulfonamide (CID 71997640) is N-cyclopropyl-N-(2,3-dihydro-1H-inden-2-yl)-1-(1,2-oxazol-3-yl)methanesulfonamide.
What is the SMILES notation for N-cyclopropyl-N-(2,3-dihydro-1H-inden-2-yl)-1-(1,2-oxazol-3-yl)methanesulfonamide?
The canonical SMILES for N-cyclopropyl-N-(2,3-dihydro-1H-inden-2-yl)-1-(1,2-oxazol-3-yl)methanesulfonamide is O=S(=O)(Cc1ccon1)N(C1CC1)C1Cc2ccccc2C1.
What is the InChIKey of N-cyclopropyl-N-(2,3-dihydro-1H-inden-2-yl)-1-(1,2-oxazol-3-yl)methanesulfonamide?
The InChIKey is KWUOPDZUYJXOKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O3S/c19-22(20,11-14-7-8-21-17-14)18(15-5-6-15)16-9-12-3-1-2-4-13(12)10-16/h1-4,7-8,15-16H,5-6,9-11H2.
What are the key properties of N-cyclopropyl-N-(2,3-dihydro-1H-inden-2-yl)-1-(1,2-oxazol-3-yl)methanesulfonamide?
N-cyclopropyl-N-(2,3-dihydro-1H-inden-2-yl)-1-(1,2-oxazol-3-yl)methanesulfonamide has a molecular weight of 318.40 g/mol, XLogP of 2.14, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-(2,3-dihydro-1H-inden-2-yl)-1-(1,2-oxazol-3-yl)methanesulfonamide is sourced from PubChem (CID 71997640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).