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

C16H26N2O2 — CID 56774065

IUPACN-[(1S,3S)-3-[(5-butyl-1,2-oxazol-3-yl)methyl]-2,2-dimethylcyclobutyl]acetamide
SMILESCCCCc1cc(C[C@@H]2C[C@H](NC(C)=O)C2(C)C)no1
InChIInChI=1S/C16H26N2O2/c1-5-6-7-14-10-13(18-20-14)8-12-9-15(16(12,3)4)17-11(2)19/h10,12,15H,5-9H2,1-4H3,(H,17,19)/t12-,15+/m1/s1
InChIKeyQDQMGPCYJOLWEZ-DOMZBBRYSA-N
MW278.40 g/mol
LogP3.11
Rot. Bonds6

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

N-[(1S,3S)-3-[(5-butyl-1,2-oxazol-3-yl)methyl]-2,2-dimethylcyclobutyl]acetamide (PubChem CID 56774065) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is N-[(1S,3S)-3-[(5-butyl-1,2-oxazol-3-yl)methyl]-2,2-dimethylcyclobutyl]acetamide.

Molecular Properties

Compound NameN-[(1S,3S)-3-[(5-butyl-1,2-oxazol-3-yl)methyl]-2,2-dimethylcyclobutyl]acetamide
PubChem CID56774065
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC NameN-[(1S,3S)-3-[(5-butyl-1,2-oxazol-3-yl)methyl]-2,2-dimethylcyclobutyl]acetamide
SMILESCCCCc1cc(C[C@@H]2C[C@H](NC(C)=O)C2(C)C)no1
InChIInChI=1S/C16H26N2O2/c1-5-6-7-14-10-13(18-20-14)8-12-9-15(16(12,3)4)17-11(2)19/h10,12,15H,5-9H2,1-4H3,(H,17,19)/t12-,15+/m1/s1
InChIKeyQDQMGPCYJOLWEZ-DOMZBBRYSA-N
XLogP3.11
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 53.11
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-butyl-1,2-oxazol-3-yl)methyl]-2,2-dimethylcyclobutyl]acetamide?
The IUPAC name of N-[(1S,3S)-3-[(5-butyl-1,2-oxazol-3-yl)methyl]-2,2-dimethylcyclobutyl]acetamide (CID 56774065) is N-[(1S,3S)-3-[(5-butyl-1,2-oxazol-3-yl)methyl]-2,2-dimethylcyclobutyl]acetamide.
What is the SMILES notation for N-[(1S,3S)-3-[(5-butyl-1,2-oxazol-3-yl)methyl]-2,2-dimethylcyclobutyl]acetamide?
The canonical SMILES for N-[(1S,3S)-3-[(5-butyl-1,2-oxazol-3-yl)methyl]-2,2-dimethylcyclobutyl]acetamide is CCCCc1cc(C[C@@H]2C[C@H](NC(C)=O)C2(C)C)no1.
What is the InChIKey of N-[(1S,3S)-3-[(5-butyl-1,2-oxazol-3-yl)methyl]-2,2-dimethylcyclobutyl]acetamide?
The InChIKey is QDQMGPCYJOLWEZ-DOMZBBRYSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-5-6-7-14-10-13(18-20-14)8-12-9-15(16(12,3)4)17-11(2)19/h10,12,15H,5-9H2,1-4H3,(H,17,19)/t12-,15+/m1/s1.
What are the key properties of N-[(1S,3S)-3-[(5-butyl-1,2-oxazol-3-yl)methyl]-2,2-dimethylcyclobutyl]acetamide?
N-[(1S,3S)-3-[(5-butyl-1,2-oxazol-3-yl)methyl]-2,2-dimethylcyclobutyl]acetamide has a molecular weight of 278.40 g/mol, XLogP of 3.11, 6 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-butyl-1,2-oxazol-3-yl)methyl]-2,2-dimethylcyclobutyl]acetamide is sourced from PubChem (CID 56774065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).