N-[(R)-oxan-4-yl-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]cyclopentene-1-carboxamide

C17H25N3O3 — CID 129326932

IUPACN-[(R)-oxan-4-yl-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]cyclopentene-1-carboxamide
SMILESCC(C)c1noc([C@H](NC(=O)C2=CCCC2)C2CCOCC2)n1
InChIInChI=1S/C17H25N3O3/c1-11(2)15-19-17(23-20-15)14(12-7-9-22-10-8-12)18-16(21)13-5-3-4-6-13/h5,11-12,14H,3-4,6-10H2,1-2H3,(H,18,21)/t14-/m1/s1
InChIKeyONSOYCDGHLLOGY-CQSZACIVSA-N
MW319.40 g/mol
LogP2.89
Rot. Bonds5

About N-[(R)-oxan-4-yl-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]cyclopentene-1-carboxamide

N-[(R)-oxan-4-yl-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]cyclopentene-1-carboxamide (PubChem CID 129326932) has the molecular formula C17H25N3O3 and a molecular weight of 319.40 g/mol. Its IUPAC name is N-[(R)-oxan-4-yl-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]cyclopentene-1-carboxamide.

Molecular Properties

Compound NameN-[(R)-oxan-4-yl-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]cyclopentene-1-carboxamide
PubChem CID129326932
Molecular FormulaC17H25N3O3
Molecular Weight319.40 g/mol
Exact Mass319.19
IUPAC NameN-[(R)-oxan-4-yl-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]cyclopentene-1-carboxamide
SMILESCC(C)c1noc([C@H](NC(=O)C2=CCCC2)C2CCOCC2)n1
InChIInChI=1S/C17H25N3O3/c1-11(2)15-19-17(23-20-15)14(12-7-9-22-10-8-12)18-16(21)13-5-3-4-6-13/h5,11-12,14H,3-4,6-10H2,1-2H3,(H,18,21)/t14-/m1/s1
InChIKeyONSOYCDGHLLOGY-CQSZACIVSA-N
XLogP2.89
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.40
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(R)-oxan-4-yl-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]cyclopentene-1-carboxamide?
The IUPAC name of N-[(R)-oxan-4-yl-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]cyclopentene-1-carboxamide (CID 129326932) is N-[(R)-oxan-4-yl-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]cyclopentene-1-carboxamide.
What is the SMILES notation for N-[(R)-oxan-4-yl-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]cyclopentene-1-carboxamide?
The canonical SMILES for N-[(R)-oxan-4-yl-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]cyclopentene-1-carboxamide is CC(C)c1noc([C@H](NC(=O)C2=CCCC2)C2CCOCC2)n1.
What is the InChIKey of N-[(R)-oxan-4-yl-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]cyclopentene-1-carboxamide?
The InChIKey is ONSOYCDGHLLOGY-CQSZACIVSA-N. The full InChI is InChI=1S/C17H25N3O3/c1-11(2)15-19-17(23-20-15)14(12-7-9-22-10-8-12)18-16(21)13-5-3-4-6-13/h5,11-12,14H,3-4,6-10H2,1-2H3,(H,18,21)/t14-/m1/s1.
What are the key properties of N-[(R)-oxan-4-yl-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]cyclopentene-1-carboxamide?
N-[(R)-oxan-4-yl-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]cyclopentene-1-carboxamide has a molecular weight of 319.40 g/mol, XLogP of 2.89, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(R)-oxan-4-yl-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]cyclopentene-1-carboxamide is sourced from PubChem (CID 129326932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).