N-[(1S,3S)-2,2-dimethyl-3-[[5-(2-methylpropyl)-1,2-oxazol-3-yl]methyl]cyclobutyl]acetamide

C16H26N2O2 — CID 71692968

IUPACN-[(1S,3S)-2,2-dimethyl-3-[[5-(2-methylpropyl)-1,2-oxazol-3-yl]methyl]cyclobutyl]acetamide
SMILESCC(=O)N[C@H]1C[C@@H](Cc2cc(CC(C)C)on2)C1(C)C
InChIInChI=1S/C16H26N2O2/c1-10(2)6-14-9-13(18-20-14)7-12-8-15(16(12,4)5)17-11(3)19/h9-10,12,15H,6-8H2,1-5H3,(H,17,19)/t12-,15+/m1/s1
InChIKeyKOPALVVKKRIOFH-DOMZBBRYSA-N
MW278.40 g/mol
LogP2.97
Rot. Bonds5

About N-[(1S,3S)-2,2-dimethyl-3-[[5-(2-methylpropyl)-1,2-oxazol-3-yl]methyl]cyclobutyl]acetamide

N-[(1S,3S)-2,2-dimethyl-3-[[5-(2-methylpropyl)-1,2-oxazol-3-yl]methyl]cyclobutyl]acetamide (PubChem CID 71692968) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is N-[(1S,3S)-2,2-dimethyl-3-[[5-(2-methylpropyl)-1,2-oxazol-3-yl]methyl]cyclobutyl]acetamide.

Molecular Properties

Compound NameN-[(1S,3S)-2,2-dimethyl-3-[[5-(2-methylpropyl)-1,2-oxazol-3-yl]methyl]cyclobutyl]acetamide
PubChem CID71692968
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC NameN-[(1S,3S)-2,2-dimethyl-3-[[5-(2-methylpropyl)-1,2-oxazol-3-yl]methyl]cyclobutyl]acetamide
SMILESCC(=O)N[C@H]1C[C@@H](Cc2cc(CC(C)C)on2)C1(C)C
InChIInChI=1S/C16H26N2O2/c1-10(2)6-14-9-13(18-20-14)7-12-8-15(16(12,4)5)17-11(3)19/h9-10,12,15H,6-8H2,1-5H3,(H,17,19)/t12-,15+/m1/s1
InChIKeyKOPALVVKKRIOFH-DOMZBBRYSA-N
XLogP2.97
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(1S,3S)-2,2-dimethyl-3-[[5-(2-methylpropyl)-1,2-oxazol-3-yl]methyl]cyclobutyl]acetamide?
The IUPAC name of N-[(1S,3S)-2,2-dimethyl-3-[[5-(2-methylpropyl)-1,2-oxazol-3-yl]methyl]cyclobutyl]acetamide (CID 71692968) is N-[(1S,3S)-2,2-dimethyl-3-[[5-(2-methylpropyl)-1,2-oxazol-3-yl]methyl]cyclobutyl]acetamide.
What is the SMILES notation for N-[(1S,3S)-2,2-dimethyl-3-[[5-(2-methylpropyl)-1,2-oxazol-3-yl]methyl]cyclobutyl]acetamide?
The canonical SMILES for N-[(1S,3S)-2,2-dimethyl-3-[[5-(2-methylpropyl)-1,2-oxazol-3-yl]methyl]cyclobutyl]acetamide is CC(=O)N[C@H]1C[C@@H](Cc2cc(CC(C)C)on2)C1(C)C.
What is the InChIKey of N-[(1S,3S)-2,2-dimethyl-3-[[5-(2-methylpropyl)-1,2-oxazol-3-yl]methyl]cyclobutyl]acetamide?
The InChIKey is KOPALVVKKRIOFH-DOMZBBRYSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-10(2)6-14-9-13(18-20-14)7-12-8-15(16(12,4)5)17-11(3)19/h9-10,12,15H,6-8H2,1-5H3,(H,17,19)/t12-,15+/m1/s1.
What are the key properties of N-[(1S,3S)-2,2-dimethyl-3-[[5-(2-methylpropyl)-1,2-oxazol-3-yl]methyl]cyclobutyl]acetamide?
N-[(1S,3S)-2,2-dimethyl-3-[[5-(2-methylpropyl)-1,2-oxazol-3-yl]methyl]cyclobutyl]acetamide has a molecular weight of 278.40 g/mol, XLogP of 2.97, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,3S)-2,2-dimethyl-3-[[5-(2-methylpropyl)-1,2-oxazol-3-yl]methyl]cyclobutyl]acetamide is sourced from PubChem (CID 71692968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).