(1S,2R,4R)-N-benzyl-7-oxabicyclo[2.2.1]heptane-2-carboxamide

C14H17NO2 — CID 124504672

IUPAC(1S,2R,4R)-N-benzyl-7-oxabicyclo[2.2.1]heptane-2-carboxamide
SMILESO=C(NCc1ccccc1)[C@@H]1C[C@H]2CC[C@@H]1O2
InChIInChI=1S/C14H17NO2/c16-14(12-8-11-6-7-13(12)17-11)15-9-10-4-2-1-3-5-10/h1-5,11-13H,6-9H2,(H,15,16)/t11-,12-,13+/m1/s1
InChIKeyGKISAEGSBCVXMS-UPJWGTAASA-N
MW231.29 g/mol
LogP1.87
Rot. Bonds3

About (1S,2R,4R)-N-benzyl-7-oxabicyclo[2.2.1]heptane-2-carboxamide

(1S,2R,4R)-N-benzyl-7-oxabicyclo[2.2.1]heptane-2-carboxamide (PubChem CID 124504672) has the molecular formula C14H17NO2 and a molecular weight of 231.29 g/mol. Its IUPAC name is (1S,2R,4R)-N-benzyl-7-oxabicyclo[2.2.1]heptane-2-carboxamide.

Molecular Properties

Compound Name(1S,2R,4R)-N-benzyl-7-oxabicyclo[2.2.1]heptane-2-carboxamide
PubChem CID124504672
Molecular FormulaC14H17NO2
Molecular Weight231.29 g/mol
Exact Mass231.13
IUPAC Name(1S,2R,4R)-N-benzyl-7-oxabicyclo[2.2.1]heptane-2-carboxamide
SMILESO=C(NCc1ccccc1)[C@@H]1C[C@H]2CC[C@@H]1O2
InChIInChI=1S/C14H17NO2/c16-14(12-8-11-6-7-13(12)17-11)15-9-10-4-2-1-3-5-10/h1-5,11-13H,6-9H2,(H,15,16)/t11-,12-,13+/m1/s1
InChIKeyGKISAEGSBCVXMS-UPJWGTAASA-N
XLogP1.87
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.29
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (1S,2R,4R)-N-benzyl-7-oxabicyclo[2.2.1]heptane-2-carboxamide 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

4-[(7-oxabicyclo[2.2.1]heptane-2-carbonylamino)methyl]benzoic acid
CID 119353292
(1R,2R,4R)-N-[(1-benzylimidazol-2-yl)methyl]-7-oxabicyclo[2.2.1]heptane-2-carboxamide
CID 129378072
(1S,5R,6R)-N-benzyl-3-ethyl-8-oxa-3-azabicyclo[3.2.1]octane-6-carboxamide
CID 133140006
1-benzyl-3-(7-oxabicyclo[2.2.1]heptan-2-yl)urea
CID 103760232
3-[2-[[(1R,2S,4R)-7-oxabicyclo[2.2.1]heptane-2-carbonyl]amino]ethyl]benzoic acid
CID 129466556
cis-(1R,2S)-2-(benzylcarbamoyl)cyclopropane-1-carboxylic acid
CID 51776902
(2S)-N-benzyl-2-methylcyclopropane-1-carboxamide
CID 164843692
(1R,2R,4R)-N-[[(3S)-5-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]methyl]-7-oxabicyclo[2.2.1]heptane-2-carboxamide
CID 129378537
(1R,2S,4R)-N-[[(3R)-5-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]methyl]-7-oxabicyclo[2.2.1]heptane-2-carboxamide
CID 129434820
(1S,5R,6R)-6-N-benzyl-3-N-(2-methylpropyl)-8-oxa-3-azabicyclo[3.2.1]octane-3,6-dicarboxamide
CID 133135744
N-(2-hydroxy-1-phenylethyl)-7-oxabicyclo[2.2.1]heptane-2-carboxamide
CID 110001471
(1S,5R,6R)-N-benzyl-3-[(1-methylpyrazol-4-yl)methyl]-8-oxa-3-azabicyclo[3.2.1]octane-6-carboxamide
CID 133143196

Frequently Asked Questions

What is the IUPAC name of (1S,2R,4R)-N-benzyl-7-oxabicyclo[2.2.1]heptane-2-carboxamide?
The IUPAC name of (1S,2R,4R)-N-benzyl-7-oxabicyclo[2.2.1]heptane-2-carboxamide (CID 124504672) is (1S,2R,4R)-N-benzyl-7-oxabicyclo[2.2.1]heptane-2-carboxamide.
What is the SMILES notation for (1S,2R,4R)-N-benzyl-7-oxabicyclo[2.2.1]heptane-2-carboxamide?
The canonical SMILES for (1S,2R,4R)-N-benzyl-7-oxabicyclo[2.2.1]heptane-2-carboxamide is O=C(NCc1ccccc1)[C@@H]1C[C@H]2CC[C@@H]1O2.
What is the InChIKey of (1S,2R,4R)-N-benzyl-7-oxabicyclo[2.2.1]heptane-2-carboxamide?
The InChIKey is GKISAEGSBCVXMS-UPJWGTAASA-N. The full InChI is InChI=1S/C14H17NO2/c16-14(12-8-11-6-7-13(12)17-11)15-9-10-4-2-1-3-5-10/h1-5,11-13H,6-9H2,(H,15,16)/t11-,12-,13+/m1/s1.
What are the key properties of (1S,2R,4R)-N-benzyl-7-oxabicyclo[2.2.1]heptane-2-carboxamide?
(1S,2R,4R)-N-benzyl-7-oxabicyclo[2.2.1]heptane-2-carboxamide has a molecular weight of 231.29 g/mol, XLogP of 1.87, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R,4R)-N-benzyl-7-oxabicyclo[2.2.1]heptane-2-carboxamide is sourced from PubChem (CID 124504672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).