N-tert-butyl-2-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methylsulfonyl]propanamide

C14H25N3O4S — CID 51080773

IUPACN-tert-butyl-2-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methylsulfonyl]propanamide
SMILESCC(C(=O)NC(C)(C)C)S(=O)(=O)Cc1noc(C(C)(C)C)n1
InChIInChI=1S/C14H25N3O4S/c1-9(11(18)16-14(5,6)7)22(19,20)8-10-15-12(21-17-10)13(2,3)4/h9H,8H2,1-7H3,(H,16,18)
InChIKeyNDNRJAKSCBZPBZ-UHFFFAOYSA-N
MW331.44 g/mol
LogP1.59
Rot. Bonds4

About N-tert-butyl-2-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methylsulfonyl]propanamide

N-tert-butyl-2-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methylsulfonyl]propanamide (PubChem CID 51080773) has the molecular formula C14H25N3O4S and a molecular weight of 331.44 g/mol. Its IUPAC name is N-tert-butyl-2-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methylsulfonyl]propanamide.

Molecular Properties

Compound NameN-tert-butyl-2-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methylsulfonyl]propanamide
PubChem CID51080773
Molecular FormulaC14H25N3O4S
Molecular Weight331.44 g/mol
Exact Mass331.16
IUPAC NameN-tert-butyl-2-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methylsulfonyl]propanamide
SMILESCC(C(=O)NC(C)(C)C)S(=O)(=O)Cc1noc(C(C)(C)C)n1
InChIInChI=1S/C14H25N3O4S/c1-9(11(18)16-14(5,6)7)22(19,20)8-10-15-12(21-17-10)13(2,3)4/h9H,8H2,1-7H3,(H,16,18)
InChIKeyNDNRJAKSCBZPBZ-UHFFFAOYSA-N
XLogP1.59
TPSA102.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.44
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methylsulfonyl]propanamide?
The IUPAC name of N-tert-butyl-2-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methylsulfonyl]propanamide (CID 51080773) is N-tert-butyl-2-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methylsulfonyl]propanamide.
What is the SMILES notation for N-tert-butyl-2-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methylsulfonyl]propanamide?
The canonical SMILES for N-tert-butyl-2-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methylsulfonyl]propanamide is CC(C(=O)NC(C)(C)C)S(=O)(=O)Cc1noc(C(C)(C)C)n1.
What is the InChIKey of N-tert-butyl-2-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methylsulfonyl]propanamide?
The InChIKey is NDNRJAKSCBZPBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O4S/c1-9(11(18)16-14(5,6)7)22(19,20)8-10-15-12(21-17-10)13(2,3)4/h9H,8H2,1-7H3,(H,16,18).
What are the key properties of N-tert-butyl-2-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methylsulfonyl]propanamide?
N-tert-butyl-2-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methylsulfonyl]propanamide has a molecular weight of 331.44 g/mol, XLogP of 1.59, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methylsulfonyl]propanamide is sourced from PubChem (CID 51080773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).