N-[(1S,3aS,6aS)-1,2,3,3a,4,5,6,6a-octahydropentalen-1-yl]-5-cyclopropyl-1,3-oxazole-4-carboxamide

C15H20N2O2 — CID 70764508

IUPACN-[(1S,3aS,6aS)-1,2,3,3a,4,5,6,6a-octahydropentalen-1-yl]-5-cyclopropyl-1,3-oxazole-4-carboxamide
SMILESO=C(N[C@H]1CC[C@@H]2CCC[C@@H]21)c1ncoc1C1CC1
InChIInChI=1S/C15H20N2O2/c18-15(13-14(10-4-5-10)19-8-16-13)17-12-7-6-9-2-1-3-11(9)12/h8-12H,1-7H2,(H,17,18)/t9-,11-,12-/m0/s1
InChIKeyCROAWYGOLZOVBH-DLOVCJGASA-N
MW260.34 g/mol
LogP2.86
Rot. Bonds3

About N-[(1S,3aS,6aS)-1,2,3,3a,4,5,6,6a-octahydropentalen-1-yl]-5-cyclopropyl-1,3-oxazole-4-carboxamide

N-[(1S,3aS,6aS)-1,2,3,3a,4,5,6,6a-octahydropentalen-1-yl]-5-cyclopropyl-1,3-oxazole-4-carboxamide (PubChem CID 70764508) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is N-[(1S,3aS,6aS)-1,2,3,3a,4,5,6,6a-octahydropentalen-1-yl]-5-cyclopropyl-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[(1S,3aS,6aS)-1,2,3,3a,4,5,6,6a-octahydropentalen-1-yl]-5-cyclopropyl-1,3-oxazole-4-carboxamide
PubChem CID70764508
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC NameN-[(1S,3aS,6aS)-1,2,3,3a,4,5,6,6a-octahydropentalen-1-yl]-5-cyclopropyl-1,3-oxazole-4-carboxamide
SMILESO=C(N[C@H]1CC[C@@H]2CCC[C@@H]21)c1ncoc1C1CC1
InChIInChI=1S/C15H20N2O2/c18-15(13-14(10-4-5-10)19-8-16-13)17-12-7-6-9-2-1-3-11(9)12/h8-12H,1-7H2,(H,17,18)/t9-,11-,12-/m0/s1
InChIKeyCROAWYGOLZOVBH-DLOVCJGASA-N
XLogP2.86
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(1S,3aS,6aS)-1,2,3,3a,4,5,6,6a-octahydropentalen-1-yl]-5-cyclopropyl-1,3-oxazole-4-carboxamide?
The IUPAC name of N-[(1S,3aS,6aS)-1,2,3,3a,4,5,6,6a-octahydropentalen-1-yl]-5-cyclopropyl-1,3-oxazole-4-carboxamide (CID 70764508) is N-[(1S,3aS,6aS)-1,2,3,3a,4,5,6,6a-octahydropentalen-1-yl]-5-cyclopropyl-1,3-oxazole-4-carboxamide.
What is the SMILES notation for N-[(1S,3aS,6aS)-1,2,3,3a,4,5,6,6a-octahydropentalen-1-yl]-5-cyclopropyl-1,3-oxazole-4-carboxamide?
The canonical SMILES for N-[(1S,3aS,6aS)-1,2,3,3a,4,5,6,6a-octahydropentalen-1-yl]-5-cyclopropyl-1,3-oxazole-4-carboxamide is O=C(N[C@H]1CC[C@@H]2CCC[C@@H]21)c1ncoc1C1CC1.
What is the InChIKey of N-[(1S,3aS,6aS)-1,2,3,3a,4,5,6,6a-octahydropentalen-1-yl]-5-cyclopropyl-1,3-oxazole-4-carboxamide?
The InChIKey is CROAWYGOLZOVBH-DLOVCJGASA-N. The full InChI is InChI=1S/C15H20N2O2/c18-15(13-14(10-4-5-10)19-8-16-13)17-12-7-6-9-2-1-3-11(9)12/h8-12H,1-7H2,(H,17,18)/t9-,11-,12-/m0/s1.
What are the key properties of N-[(1S,3aS,6aS)-1,2,3,3a,4,5,6,6a-octahydropentalen-1-yl]-5-cyclopropyl-1,3-oxazole-4-carboxamide?
N-[(1S,3aS,6aS)-1,2,3,3a,4,5,6,6a-octahydropentalen-1-yl]-5-cyclopropyl-1,3-oxazole-4-carboxamide has a molecular weight of 260.34 g/mol, XLogP of 2.86, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,3aS,6aS)-1,2,3,3a,4,5,6,6a-octahydropentalen-1-yl]-5-cyclopropyl-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 70764508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).