5-tert-butyl-N-[[(1S,2R)-2-methoxycyclopentyl]methyl]-1,2-oxazole-3-carboxamide

C15H24N2O3 — CID 97257057

IUPAC5-tert-butyl-N-[[(1S,2R)-2-methoxycyclopentyl]methyl]-1,2-oxazole-3-carboxamide
SMILESCO[C@@H]1CCC[C@H]1CNC(=O)c1cc(C(C)(C)C)on1
InChIInChI=1S/C15H24N2O3/c1-15(2,3)13-8-11(17-20-13)14(18)16-9-10-6-5-7-12(10)19-4/h8,10,12H,5-7,9H2,1-4H3,(H,16,18)/t10-,12+/m0/s1
InChIKeyLYBOAXMDXKIIGJ-CMPLNLGQSA-N
MW280.37 g/mol
LogP2.52
Rot. Bonds4

About 5-tert-butyl-N-[[(1S,2R)-2-methoxycyclopentyl]methyl]-1,2-oxazole-3-carboxamide

5-tert-butyl-N-[[(1S,2R)-2-methoxycyclopentyl]methyl]-1,2-oxazole-3-carboxamide (PubChem CID 97257057) has the molecular formula C15H24N2O3 and a molecular weight of 280.37 g/mol. Its IUPAC name is 5-tert-butyl-N-[[(1S,2R)-2-methoxycyclopentyl]methyl]-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-tert-butyl-N-[[(1S,2R)-2-methoxycyclopentyl]methyl]-1,2-oxazole-3-carboxamide
PubChem CID97257057
Molecular FormulaC15H24N2O3
Molecular Weight280.37 g/mol
Exact Mass280.18
IUPAC Name5-tert-butyl-N-[[(1S,2R)-2-methoxycyclopentyl]methyl]-1,2-oxazole-3-carboxamide
SMILESCO[C@@H]1CCC[C@H]1CNC(=O)c1cc(C(C)(C)C)on1
InChIInChI=1S/C15H24N2O3/c1-15(2,3)13-8-11(17-20-13)14(18)16-9-10-6-5-7-12(10)19-4/h8,10,12H,5-7,9H2,1-4H3,(H,16,18)/t10-,12+/m0/s1
InChIKeyLYBOAXMDXKIIGJ-CMPLNLGQSA-N
XLogP2.52
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-N-[[(1S,2R)-2-methoxycyclopentyl]methyl]-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-tert-butyl-N-[[(1S,2R)-2-methoxycyclopentyl]methyl]-1,2-oxazole-3-carboxamide (CID 97257057) is 5-tert-butyl-N-[[(1S,2R)-2-methoxycyclopentyl]methyl]-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-tert-butyl-N-[[(1S,2R)-2-methoxycyclopentyl]methyl]-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-tert-butyl-N-[[(1S,2R)-2-methoxycyclopentyl]methyl]-1,2-oxazole-3-carboxamide is CO[C@@H]1CCC[C@H]1CNC(=O)c1cc(C(C)(C)C)on1.
What is the InChIKey of 5-tert-butyl-N-[[(1S,2R)-2-methoxycyclopentyl]methyl]-1,2-oxazole-3-carboxamide?
The InChIKey is LYBOAXMDXKIIGJ-CMPLNLGQSA-N. The full InChI is InChI=1S/C15H24N2O3/c1-15(2,3)13-8-11(17-20-13)14(18)16-9-10-6-5-7-12(10)19-4/h8,10,12H,5-7,9H2,1-4H3,(H,16,18)/t10-,12+/m0/s1.
What are the key properties of 5-tert-butyl-N-[[(1S,2R)-2-methoxycyclopentyl]methyl]-1,2-oxazole-3-carboxamide?
5-tert-butyl-N-[[(1S,2R)-2-methoxycyclopentyl]methyl]-1,2-oxazole-3-carboxamide has a molecular weight of 280.37 g/mol, XLogP of 2.52, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-N-[[(1S,2R)-2-methoxycyclopentyl]methyl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 97257057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).