N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-3-(5-methyl-1,2,4-oxadiazol-3-yl)benzamide

C16H17N3O3 — CID 111696768

IUPACN-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-3-(5-methyl-1,2,4-oxadiazol-3-yl)benzamide
SMILESCc1nc(-c2cccc(C(=O)N[C@@H]3C=C[C@H](CO)C3)c2)no1
InChIInChI=1S/C16H17N3O3/c1-10-17-15(19-22-10)12-3-2-4-13(8-12)16(21)18-14-6-5-11(7-14)9-20/h2-6,8,11,14,20H,7,9H2,1H3,(H,18,21)/t11-,14+/m0/s1
InChIKeyOGOCLANSYQAQOM-SMDDNHRTSA-N
MW299.33 g/mol
LogP1.71
Rot. Bonds4

About N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-3-(5-methyl-1,2,4-oxadiazol-3-yl)benzamide

N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-3-(5-methyl-1,2,4-oxadiazol-3-yl)benzamide (PubChem CID 111696768) has the molecular formula C16H17N3O3 and a molecular weight of 299.33 g/mol. Its IUPAC name is N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-3-(5-methyl-1,2,4-oxadiazol-3-yl)benzamide.

Molecular Properties

Compound NameN-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-3-(5-methyl-1,2,4-oxadiazol-3-yl)benzamide
PubChem CID111696768
Molecular FormulaC16H17N3O3
Molecular Weight299.33 g/mol
Exact Mass299.13
IUPAC NameN-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-3-(5-methyl-1,2,4-oxadiazol-3-yl)benzamide
SMILESCc1nc(-c2cccc(C(=O)N[C@@H]3C=C[C@H](CO)C3)c2)no1
InChIInChI=1S/C16H17N3O3/c1-10-17-15(19-22-10)12-3-2-4-13(8-12)16(21)18-14-6-5-11(7-14)9-20/h2-6,8,11,14,20H,7,9H2,1H3,(H,18,21)/t11-,14+/m0/s1
InChIKeyOGOCLANSYQAQOM-SMDDNHRTSA-N
XLogP1.71
TPSA88.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.33
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

3-(5-methyl-1,2,4-oxadiazol-3-yl)benzoic acid;[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]methanol
CID 159455674
3-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]benzamide
CID 111661556
N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-6-methylpyridine-3-carboxamide
CID 111661211
N-(2-cyclopentyl-2-hydroxyethyl)-3-(5-methyl-1,2,4-oxadiazol-3-yl)benzamide
CID 111477761
3-(hydroxymethyl)-N-[6-(5-methyl-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1-benzofuran-3-yl]benzamide
CID 139412765
N-(3-ethylphenyl)-3-(5-methyl-1,2,4-oxadiazol-3-yl)benzamide
CID 46321576
ethyl 3-(5-methyl-1,2,4-oxadiazol-3-yl)benzoate
CID 53429626
N-(3-chlorophenyl)-3-(5-methyl-1,2,4-oxadiazol-3-yl)benzamide
CID 46321558
3-(4-chlorophenoxy)-N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]benzamide
CID 110000319
3-(5-methyl-1,2,4-oxadiazol-3-yl)-N-(4-propan-2-ylphenyl)benzamide
CID 50778928
N-(3-chloro-2-methylphenyl)-3-(5-methyl-1,2,4-oxadiazol-3-yl)benzamide
CID 50779128
tert-butyl (3S)-3-[[3-(5-methyl-1,2,4-oxadiazol-3-yl)benzoyl]amino]piperidine-1-carboxylate
CID 168974665

Frequently Asked Questions

What is the IUPAC name of N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-3-(5-methyl-1,2,4-oxadiazol-3-yl)benzamide?
The IUPAC name of N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-3-(5-methyl-1,2,4-oxadiazol-3-yl)benzamide (CID 111696768) is N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-3-(5-methyl-1,2,4-oxadiazol-3-yl)benzamide.
What is the SMILES notation for N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-3-(5-methyl-1,2,4-oxadiazol-3-yl)benzamide?
The canonical SMILES for N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-3-(5-methyl-1,2,4-oxadiazol-3-yl)benzamide is Cc1nc(-c2cccc(C(=O)N[C@@H]3C=C[C@H](CO)C3)c2)no1.
What is the InChIKey of N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-3-(5-methyl-1,2,4-oxadiazol-3-yl)benzamide?
The InChIKey is OGOCLANSYQAQOM-SMDDNHRTSA-N. The full InChI is InChI=1S/C16H17N3O3/c1-10-17-15(19-22-10)12-3-2-4-13(8-12)16(21)18-14-6-5-11(7-14)9-20/h2-6,8,11,14,20H,7,9H2,1H3,(H,18,21)/t11-,14+/m0/s1.
What are the key properties of N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-3-(5-methyl-1,2,4-oxadiazol-3-yl)benzamide?
N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-3-(5-methyl-1,2,4-oxadiazol-3-yl)benzamide has a molecular weight of 299.33 g/mol, XLogP of 1.71, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-3-(5-methyl-1,2,4-oxadiazol-3-yl)benzamide is sourced from PubChem (CID 111696768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).