N-[(1S,3S)-3-[(5-tert-butyl-1,2-oxazol-3-yl)methyl]-2,2-dimethylcyclobutyl]acetamide

C16H26N2O2 — CID 71692958

IUPACN-[(1S,3S)-3-[(5-tert-butyl-1,2-oxazol-3-yl)methyl]-2,2-dimethylcyclobutyl]acetamide
SMILESCC(=O)N[C@H]1C[C@@H](Cc2cc(C(C)(C)C)on2)C1(C)C
InChIInChI=1S/C16H26N2O2/c1-10(19)17-13-8-11(16(13,5)6)7-12-9-14(20-18-12)15(2,3)4/h9,11,13H,7-8H2,1-6H3,(H,17,19)/t11-,13+/m1/s1
InChIKeyVUIKVYIALIKNSN-YPMHNXCESA-N
MW278.40 g/mol
LogP3.07
Rot. Bonds3

About N-[(1S,3S)-3-[(5-tert-butyl-1,2-oxazol-3-yl)methyl]-2,2-dimethylcyclobutyl]acetamide

N-[(1S,3S)-3-[(5-tert-butyl-1,2-oxazol-3-yl)methyl]-2,2-dimethylcyclobutyl]acetamide (PubChem CID 71692958) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is N-[(1S,3S)-3-[(5-tert-butyl-1,2-oxazol-3-yl)methyl]-2,2-dimethylcyclobutyl]acetamide.

Molecular Properties

Compound NameN-[(1S,3S)-3-[(5-tert-butyl-1,2-oxazol-3-yl)methyl]-2,2-dimethylcyclobutyl]acetamide
PubChem CID71692958
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC NameN-[(1S,3S)-3-[(5-tert-butyl-1,2-oxazol-3-yl)methyl]-2,2-dimethylcyclobutyl]acetamide
SMILESCC(=O)N[C@H]1C[C@@H](Cc2cc(C(C)(C)C)on2)C1(C)C
InChIInChI=1S/C16H26N2O2/c1-10(19)17-13-8-11(16(13,5)6)7-12-9-14(20-18-12)15(2,3)4/h9,11,13H,7-8H2,1-6H3,(H,17,19)/t11-,13+/m1/s1
InChIKeyVUIKVYIALIKNSN-YPMHNXCESA-N
XLogP3.07
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(1S,3S)-3-[(5-tert-butyl-1,2-oxazol-3-yl)methyl]-2,2-dimethylcyclobutyl]acetamide?
The IUPAC name of N-[(1S,3S)-3-[(5-tert-butyl-1,2-oxazol-3-yl)methyl]-2,2-dimethylcyclobutyl]acetamide (CID 71692958) is N-[(1S,3S)-3-[(5-tert-butyl-1,2-oxazol-3-yl)methyl]-2,2-dimethylcyclobutyl]acetamide.
What is the SMILES notation for N-[(1S,3S)-3-[(5-tert-butyl-1,2-oxazol-3-yl)methyl]-2,2-dimethylcyclobutyl]acetamide?
The canonical SMILES for N-[(1S,3S)-3-[(5-tert-butyl-1,2-oxazol-3-yl)methyl]-2,2-dimethylcyclobutyl]acetamide is CC(=O)N[C@H]1C[C@@H](Cc2cc(C(C)(C)C)on2)C1(C)C.
What is the InChIKey of N-[(1S,3S)-3-[(5-tert-butyl-1,2-oxazol-3-yl)methyl]-2,2-dimethylcyclobutyl]acetamide?
The InChIKey is VUIKVYIALIKNSN-YPMHNXCESA-N. The full InChI is InChI=1S/C16H26N2O2/c1-10(19)17-13-8-11(16(13,5)6)7-12-9-14(20-18-12)15(2,3)4/h9,11,13H,7-8H2,1-6H3,(H,17,19)/t11-,13+/m1/s1.
What are the key properties of N-[(1S,3S)-3-[(5-tert-butyl-1,2-oxazol-3-yl)methyl]-2,2-dimethylcyclobutyl]acetamide?
N-[(1S,3S)-3-[(5-tert-butyl-1,2-oxazol-3-yl)methyl]-2,2-dimethylcyclobutyl]acetamide has a molecular weight of 278.40 g/mol, XLogP of 3.07, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,3S)-3-[(5-tert-butyl-1,2-oxazol-3-yl)methyl]-2,2-dimethylcyclobutyl]acetamide is sourced from PubChem (CID 71692958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).