N-[(1S,5S,6R,7R)-7-cyclopentyl-2-oxabicyclo[3.2.0]heptan-6-yl]-2-(2-oxopyrimidin-1-yl)acetamide

C17H23N3O3 — CID 91773236

IUPACN-[(1S,5S,6R,7R)-7-cyclopentyl-2-oxabicyclo[3.2.0]heptan-6-yl]-2-(2-oxopyrimidin-1-yl)acetamide
SMILESO=C(Cn1cccnc1=O)N[C@@H]1[C@@H]2CCO[C@@H]2[C@@H]1C1CCCC1
InChIInChI=1S/C17H23N3O3/c21-13(10-20-8-3-7-18-17(20)22)19-15-12-6-9-23-16(12)14(15)11-4-1-2-5-11/h3,7-8,11-12,14-16H,1-2,4-6,9-10H2,(H,19,21)/t12-,14+,15+,16-/m0/s1
InChIKeyWLRWOYCBCLZPIE-XZDPQHSOSA-N
MW317.39 g/mol
LogP0.95
Rot. Bonds4

About N-[(1S,5S,6R,7R)-7-cyclopentyl-2-oxabicyclo[3.2.0]heptan-6-yl]-2-(2-oxopyrimidin-1-yl)acetamide

N-[(1S,5S,6R,7R)-7-cyclopentyl-2-oxabicyclo[3.2.0]heptan-6-yl]-2-(2-oxopyrimidin-1-yl)acetamide (PubChem CID 91773236) has the molecular formula C17H23N3O3 and a molecular weight of 317.39 g/mol. Its IUPAC name is N-[(1S,5S,6R,7R)-7-cyclopentyl-2-oxabicyclo[3.2.0]heptan-6-yl]-2-(2-oxopyrimidin-1-yl)acetamide.

Molecular Properties

Compound NameN-[(1S,5S,6R,7R)-7-cyclopentyl-2-oxabicyclo[3.2.0]heptan-6-yl]-2-(2-oxopyrimidin-1-yl)acetamide
PubChem CID91773236
Molecular FormulaC17H23N3O3
Molecular Weight317.39 g/mol
Exact Mass317.17
IUPAC NameN-[(1S,5S,6R,7R)-7-cyclopentyl-2-oxabicyclo[3.2.0]heptan-6-yl]-2-(2-oxopyrimidin-1-yl)acetamide
SMILESO=C(Cn1cccnc1=O)N[C@@H]1[C@@H]2CCO[C@@H]2[C@@H]1C1CCCC1
InChIInChI=1S/C17H23N3O3/c21-13(10-20-8-3-7-18-17(20)22)19-15-12-6-9-23-16(12)14(15)11-4-1-2-5-11/h3,7-8,11-12,14-16H,1-2,4-6,9-10H2,(H,19,21)/t12-,14+,15+,16-/m0/s1
InChIKeyWLRWOYCBCLZPIE-XZDPQHSOSA-N
XLogP0.95
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[(1S,5S,6R,7R)-7-cyclopentyl-2-oxabicyclo[3.2.0]heptan-6-yl]-2-(2-oxopyrimidin-1-yl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(1S,5S,6R,7R)-7-cyclopentyl-2-oxabicyclo[3.2.0]heptan-6-yl]-3-(2-ethylimidazol-1-yl)propanamide
CID 91770237
N-[(1S,2S)-2-hydroxycyclohexyl]-2-(2-oxopyrimidin-1-yl)acetamide
CID 104956902
2-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]cyclopentane-1-carboxylic acid
CID 64813049
N-[(1S,5S,6S,7R)-7-cyclopentyl-2-oxabicyclo[3.2.0]heptan-6-yl]-1H-pyrazole-5-carboxamide
CID 91762510
N-[(1R,5R,6S,7S)-7-cyclopentyl-2-oxabicyclo[3.2.0]heptan-6-yl]-2-(3-hydroxyphenyl)acetamide
CID 133267093
2-(4-acetyl-3,5-dimethylpyrazol-1-yl)-N-[(1S,5S,6S,7R)-7-cyclopentyl-2-oxabicyclo[3.2.0]heptan-6-yl]acetamide
CID 91790453
N-[(1S,5S,6R,7R)-7-cyclopentyl-2-oxabicyclo[3.2.0]heptan-6-yl]-1-methylimidazole-4-carboxamide
CID 91770801
N-[(1R,5R,6S,7S)-7-cyclopentyl-2-oxabicyclo[3.2.0]heptan-6-yl]-2-[methyl(pyridin-4-ylmethyl)amino]acetamide
CID 133264923
N-[(1S,5S,6R,7R)-7-cyclopentyl-2-oxabicyclo[3.2.0]heptan-6-yl]-2-[methyl(pyridin-4-ylmethyl)amino]acetamide
CID 91797452
N-[(1S,5S,6S,7R)-7-cyclopentyl-2-oxabicyclo[3.2.0]heptan-6-yl]-5-methyl-1-propylpyrazole-4-carboxamide
CID 91793747
N-[(1R,5R,6S,7S)-7-cyclopentyl-2-oxabicyclo[3.2.0]heptan-6-yl]-4-(2-oxopiperidin-1-yl)butanamide
CID 133265550
N-[(1S,5S,6R,7R)-7-cyclopentyl-2-oxabicyclo[3.2.0]heptan-6-yl]-4-(2-oxopiperidin-1-yl)butanamide
CID 91762621

Frequently Asked Questions

What is the IUPAC name of N-[(1S,5S,6R,7R)-7-cyclopentyl-2-oxabicyclo[3.2.0]heptan-6-yl]-2-(2-oxopyrimidin-1-yl)acetamide?
The IUPAC name of N-[(1S,5S,6R,7R)-7-cyclopentyl-2-oxabicyclo[3.2.0]heptan-6-yl]-2-(2-oxopyrimidin-1-yl)acetamide (CID 91773236) is N-[(1S,5S,6R,7R)-7-cyclopentyl-2-oxabicyclo[3.2.0]heptan-6-yl]-2-(2-oxopyrimidin-1-yl)acetamide.
What is the SMILES notation for N-[(1S,5S,6R,7R)-7-cyclopentyl-2-oxabicyclo[3.2.0]heptan-6-yl]-2-(2-oxopyrimidin-1-yl)acetamide?
The canonical SMILES for N-[(1S,5S,6R,7R)-7-cyclopentyl-2-oxabicyclo[3.2.0]heptan-6-yl]-2-(2-oxopyrimidin-1-yl)acetamide is O=C(Cn1cccnc1=O)N[C@@H]1[C@@H]2CCO[C@@H]2[C@@H]1C1CCCC1.
What is the InChIKey of N-[(1S,5S,6R,7R)-7-cyclopentyl-2-oxabicyclo[3.2.0]heptan-6-yl]-2-(2-oxopyrimidin-1-yl)acetamide?
The InChIKey is WLRWOYCBCLZPIE-XZDPQHSOSA-N. The full InChI is InChI=1S/C17H23N3O3/c21-13(10-20-8-3-7-18-17(20)22)19-15-12-6-9-23-16(12)14(15)11-4-1-2-5-11/h3,7-8,11-12,14-16H,1-2,4-6,9-10H2,(H,19,21)/t12-,14+,15+,16-/m0/s1.
What are the key properties of N-[(1S,5S,6R,7R)-7-cyclopentyl-2-oxabicyclo[3.2.0]heptan-6-yl]-2-(2-oxopyrimidin-1-yl)acetamide?
N-[(1S,5S,6R,7R)-7-cyclopentyl-2-oxabicyclo[3.2.0]heptan-6-yl]-2-(2-oxopyrimidin-1-yl)acetamide has a molecular weight of 317.39 g/mol, XLogP of 0.95, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,5S,6R,7R)-7-cyclopentyl-2-oxabicyclo[3.2.0]heptan-6-yl]-2-(2-oxopyrimidin-1-yl)acetamide is sourced from PubChem (CID 91773236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).