N-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]-4-propan-2-yloxybenzenesulfonamide

C16H22N2O4S — CID 75399517

IUPACN-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]-4-propan-2-yloxybenzenesulfonamide
SMILESCC(C)Oc1ccc(S(=O)(=O)NCc2cc(C(C)C)no2)cc1
InChIInChI=1S/C16H22N2O4S/c1-11(2)16-9-14(22-18-16)10-17-23(19,20)15-7-5-13(6-8-15)21-12(3)4/h5-9,11-12,17H,10H2,1-4H3
InChIKeyVAIXZXMPCUZGAT-UHFFFAOYSA-N
MW338.43 g/mol
LogP3.06
Rot. Bonds7

About N-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]-4-propan-2-yloxybenzenesulfonamide

N-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]-4-propan-2-yloxybenzenesulfonamide (PubChem CID 75399517) has the molecular formula C16H22N2O4S and a molecular weight of 338.43 g/mol. Its IUPAC name is N-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]-4-propan-2-yloxybenzenesulfonamide.

Molecular Properties

Compound NameN-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]-4-propan-2-yloxybenzenesulfonamide
PubChem CID75399517
Molecular FormulaC16H22N2O4S
Molecular Weight338.43 g/mol
Exact Mass338.13
IUPAC NameN-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]-4-propan-2-yloxybenzenesulfonamide
SMILESCC(C)Oc1ccc(S(=O)(=O)NCc2cc(C(C)C)no2)cc1
InChIInChI=1S/C16H22N2O4S/c1-11(2)16-9-14(22-18-16)10-17-23(19,20)15-7-5-13(6-8-15)21-12(3)4/h5-9,11-12,17H,10H2,1-4H3
InChIKeyVAIXZXMPCUZGAT-UHFFFAOYSA-N
XLogP3.06
TPSA81.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.43
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]-4-propan-2-yloxybenzenesulfonamide?
The IUPAC name of N-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]-4-propan-2-yloxybenzenesulfonamide (CID 75399517) is N-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]-4-propan-2-yloxybenzenesulfonamide.
What is the SMILES notation for N-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]-4-propan-2-yloxybenzenesulfonamide?
The canonical SMILES for N-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]-4-propan-2-yloxybenzenesulfonamide is CC(C)Oc1ccc(S(=O)(=O)NCc2cc(C(C)C)no2)cc1.
What is the InChIKey of N-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]-4-propan-2-yloxybenzenesulfonamide?
The InChIKey is VAIXZXMPCUZGAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O4S/c1-11(2)16-9-14(22-18-16)10-17-23(19,20)15-7-5-13(6-8-15)21-12(3)4/h5-9,11-12,17H,10H2,1-4H3.
What are the key properties of N-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]-4-propan-2-yloxybenzenesulfonamide?
N-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]-4-propan-2-yloxybenzenesulfonamide has a molecular weight of 338.43 g/mol, XLogP of 3.06, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]-4-propan-2-yloxybenzenesulfonamide is sourced from PubChem (CID 75399517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).