1-[3-[4-amino-2-[4-cyclopropyl-5-[3-(2-methylpropyl)cyclobutyl]-1,2-oxazol-3-yl]-4-methylpentyl]cyclobutyl]ethanone

C26H42N2O2 — CID 134173317

IUPAC1-[3-[4-amino-2-[4-cyclopropyl-5-[3-(2-methylpropyl)cyclobutyl]-1,2-oxazol-3-yl]-4-methylpentyl]cyclobutyl]ethanone
SMILESCC(=O)C1CC(CC(CC(C)(C)N)c2noc(C3CC(CC(C)C)C3)c2C2CC2)C1
InChIInChI=1S/C26H42N2O2/c1-15(2)8-17-11-21(12-17)25-23(19-6-7-19)24(28-30-25)22(14-26(4,5)27)13-18-9-20(10-18)16(3)29/h15,17-22H,6-14,27H2,1-5H3
InChIKeyILVQAPDDQCQXNG-UHFFFAOYSA-N
MW414.63 g/mol
LogP6.31
Rot. Bonds10

About 1-[3-[4-amino-2-[4-cyclopropyl-5-[3-(2-methylpropyl)cyclobutyl]-1,2-oxazol-3-yl]-4-methylpentyl]cyclobutyl]ethanone

1-[3-[4-amino-2-[4-cyclopropyl-5-[3-(2-methylpropyl)cyclobutyl]-1,2-oxazol-3-yl]-4-methylpentyl]cyclobutyl]ethanone (PubChem CID 134173317) has the molecular formula C26H42N2O2 and a molecular weight of 414.63 g/mol. Its IUPAC name is 1-[3-[4-amino-2-[4-cyclopropyl-5-[3-(2-methylpropyl)cyclobutyl]-1,2-oxazol-3-yl]-4-methylpentyl]cyclobutyl]ethanone.

Molecular Properties

Compound Name1-[3-[4-amino-2-[4-cyclopropyl-5-[3-(2-methylpropyl)cyclobutyl]-1,2-oxazol-3-yl]-4-methylpentyl]cyclobutyl]ethanone
PubChem CID134173317
Molecular FormulaC26H42N2O2
Molecular Weight414.63 g/mol
Exact Mass414.32
IUPAC Name1-[3-[4-amino-2-[4-cyclopropyl-5-[3-(2-methylpropyl)cyclobutyl]-1,2-oxazol-3-yl]-4-methylpentyl]cyclobutyl]ethanone
SMILESCC(=O)C1CC(CC(CC(C)(C)N)c2noc(C3CC(CC(C)C)C3)c2C2CC2)C1
InChIInChI=1S/C26H42N2O2/c1-15(2)8-17-11-21(12-17)25-23(19-6-7-19)24(28-30-25)22(14-26(4,5)27)13-18-9-20(10-18)16(3)29/h15,17-22H,6-14,27H2,1-5H3
InChIKeyILVQAPDDQCQXNG-UHFFFAOYSA-N
XLogP6.31
TPSA69.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.63
LogP ≤ 56.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[3-[4-amino-2-[4-cyclopropyl-5-[3-(2-methylpropyl)cyclobutyl]-1,2-oxazol-3-yl]-4-methylpentyl]cyclobutyl]ethanone?
The IUPAC name of 1-[3-[4-amino-2-[4-cyclopropyl-5-[3-(2-methylpropyl)cyclobutyl]-1,2-oxazol-3-yl]-4-methylpentyl]cyclobutyl]ethanone (CID 134173317) is 1-[3-[4-amino-2-[4-cyclopropyl-5-[3-(2-methylpropyl)cyclobutyl]-1,2-oxazol-3-yl]-4-methylpentyl]cyclobutyl]ethanone.
What is the SMILES notation for 1-[3-[4-amino-2-[4-cyclopropyl-5-[3-(2-methylpropyl)cyclobutyl]-1,2-oxazol-3-yl]-4-methylpentyl]cyclobutyl]ethanone?
The canonical SMILES for 1-[3-[4-amino-2-[4-cyclopropyl-5-[3-(2-methylpropyl)cyclobutyl]-1,2-oxazol-3-yl]-4-methylpentyl]cyclobutyl]ethanone is CC(=O)C1CC(CC(CC(C)(C)N)c2noc(C3CC(CC(C)C)C3)c2C2CC2)C1.
What is the InChIKey of 1-[3-[4-amino-2-[4-cyclopropyl-5-[3-(2-methylpropyl)cyclobutyl]-1,2-oxazol-3-yl]-4-methylpentyl]cyclobutyl]ethanone?
The InChIKey is ILVQAPDDQCQXNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H42N2O2/c1-15(2)8-17-11-21(12-17)25-23(19-6-7-19)24(28-30-25)22(14-26(4,5)27)13-18-9-20(10-18)16(3)29/h15,17-22H,6-14,27H2,1-5H3.
What are the key properties of 1-[3-[4-amino-2-[4-cyclopropyl-5-[3-(2-methylpropyl)cyclobutyl]-1,2-oxazol-3-yl]-4-methylpentyl]cyclobutyl]ethanone?
1-[3-[4-amino-2-[4-cyclopropyl-5-[3-(2-methylpropyl)cyclobutyl]-1,2-oxazol-3-yl]-4-methylpentyl]cyclobutyl]ethanone has a molecular weight of 414.63 g/mol, XLogP of 6.31, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[4-amino-2-[4-cyclopropyl-5-[3-(2-methylpropyl)cyclobutyl]-1,2-oxazol-3-yl]-4-methylpentyl]cyclobutyl]ethanone is sourced from PubChem (CID 134173317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).