3-(cyclopentylamino)-1-[3-(1-hydroxy-2-methylpropan-2-yl)-1,2-oxazol-5-yl]-3-methylbutan-2-one

C17H28N2O3 — CID 58297223

IUPAC3-(cyclopentylamino)-1-[3-(1-hydroxy-2-methylpropan-2-yl)-1,2-oxazol-5-yl]-3-methylbutan-2-one
SMILESCC(C)(NC1CCCC1)C(=O)Cc1cc(C(C)(C)CO)no1
InChIInChI=1S/C17H28N2O3/c1-16(2,11-20)14-9-13(22-19-14)10-15(21)17(3,4)18-12-7-5-6-8-12/h9,12,18,20H,5-8,10-11H2,1-4H3
InChIKeyZPRVEKHTHIVIJI-UHFFFAOYSA-N
MW308.42 g/mol
LogP2.37
Rot. Bonds7

About 3-(cyclopentylamino)-1-[3-(1-hydroxy-2-methylpropan-2-yl)-1,2-oxazol-5-yl]-3-methylbutan-2-one

3-(cyclopentylamino)-1-[3-(1-hydroxy-2-methylpropan-2-yl)-1,2-oxazol-5-yl]-3-methylbutan-2-one (PubChem CID 58297223) has the molecular formula C17H28N2O3 and a molecular weight of 308.42 g/mol. Its IUPAC name is 3-(cyclopentylamino)-1-[3-(1-hydroxy-2-methylpropan-2-yl)-1,2-oxazol-5-yl]-3-methylbutan-2-one.

Molecular Properties

Compound Name3-(cyclopentylamino)-1-[3-(1-hydroxy-2-methylpropan-2-yl)-1,2-oxazol-5-yl]-3-methylbutan-2-one
PubChem CID58297223
Molecular FormulaC17H28N2O3
Molecular Weight308.42 g/mol
Exact Mass308.21
IUPAC Name3-(cyclopentylamino)-1-[3-(1-hydroxy-2-methylpropan-2-yl)-1,2-oxazol-5-yl]-3-methylbutan-2-one
SMILESCC(C)(NC1CCCC1)C(=O)Cc1cc(C(C)(C)CO)no1
InChIInChI=1S/C17H28N2O3/c1-16(2,11-20)14-9-13(22-19-14)10-15(21)17(3,4)18-12-7-5-6-8-12/h9,12,18,20H,5-8,10-11H2,1-4H3
InChIKeyZPRVEKHTHIVIJI-UHFFFAOYSA-N
XLogP2.37
TPSA75.36 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.42
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(cyclopentylamino)-1-[3-(1-hydroxy-2-methylpropan-2-yl)-1,2-oxazol-5-yl]-3-methylbutan-2-one?
The IUPAC name of 3-(cyclopentylamino)-1-[3-(1-hydroxy-2-methylpropan-2-yl)-1,2-oxazol-5-yl]-3-methylbutan-2-one (CID 58297223) is 3-(cyclopentylamino)-1-[3-(1-hydroxy-2-methylpropan-2-yl)-1,2-oxazol-5-yl]-3-methylbutan-2-one.
What is the SMILES notation for 3-(cyclopentylamino)-1-[3-(1-hydroxy-2-methylpropan-2-yl)-1,2-oxazol-5-yl]-3-methylbutan-2-one?
The canonical SMILES for 3-(cyclopentylamino)-1-[3-(1-hydroxy-2-methylpropan-2-yl)-1,2-oxazol-5-yl]-3-methylbutan-2-one is CC(C)(NC1CCCC1)C(=O)Cc1cc(C(C)(C)CO)no1.
What is the InChIKey of 3-(cyclopentylamino)-1-[3-(1-hydroxy-2-methylpropan-2-yl)-1,2-oxazol-5-yl]-3-methylbutan-2-one?
The InChIKey is ZPRVEKHTHIVIJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O3/c1-16(2,11-20)14-9-13(22-19-14)10-15(21)17(3,4)18-12-7-5-6-8-12/h9,12,18,20H,5-8,10-11H2,1-4H3.
What are the key properties of 3-(cyclopentylamino)-1-[3-(1-hydroxy-2-methylpropan-2-yl)-1,2-oxazol-5-yl]-3-methylbutan-2-one?
3-(cyclopentylamino)-1-[3-(1-hydroxy-2-methylpropan-2-yl)-1,2-oxazol-5-yl]-3-methylbutan-2-one has a molecular weight of 308.42 g/mol, XLogP of 2.37, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopentylamino)-1-[3-(1-hydroxy-2-methylpropan-2-yl)-1,2-oxazol-5-yl]-3-methylbutan-2-one is sourced from PubChem (CID 58297223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).