N-[(1S)-1-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-(2-phenyl-1,3-oxazol-4-yl)acetamide

C20H24N2O2 — CID 98375689

IUPACN-[(1S)-1-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-(2-phenyl-1,3-oxazol-4-yl)acetamide
SMILESC[C@H](NC(=O)Cc1coc(-c2ccccc2)n1)[C@@H]1C[C@@H]2CC[C@@H]1C2
InChIInChI=1S/C20H24N2O2/c1-13(18-10-14-7-8-16(18)9-14)21-19(23)11-17-12-24-20(22-17)15-5-3-2-4-6-15/h2-6,12-14,16,18H,7-11H2,1H3,(H,21,23)/t13-,14+,16+,18-/m0/s1
InChIKeyBODPWXQMNACCCN-MMNPAVHPSA-N
MW324.42 g/mol
LogP3.83
Rot. Bonds5

About N-[(1S)-1-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-(2-phenyl-1,3-oxazol-4-yl)acetamide

N-[(1S)-1-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-(2-phenyl-1,3-oxazol-4-yl)acetamide (PubChem CID 98375689) has the molecular formula C20H24N2O2 and a molecular weight of 324.42 g/mol. Its IUPAC name is N-[(1S)-1-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-(2-phenyl-1,3-oxazol-4-yl)acetamide.

Molecular Properties

Compound NameN-[(1S)-1-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-(2-phenyl-1,3-oxazol-4-yl)acetamide
PubChem CID98375689
Molecular FormulaC20H24N2O2
Molecular Weight324.42 g/mol
Exact Mass324.18
IUPAC NameN-[(1S)-1-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-(2-phenyl-1,3-oxazol-4-yl)acetamide
SMILESC[C@H](NC(=O)Cc1coc(-c2ccccc2)n1)[C@@H]1C[C@@H]2CC[C@@H]1C2
InChIInChI=1S/C20H24N2O2/c1-13(18-10-14-7-8-16(18)9-14)21-19(23)11-17-12-24-20(22-17)15-5-3-2-4-6-15/h2-6,12-14,16,18H,7-11H2,1H3,(H,21,23)/t13-,14+,16+,18-/m0/s1
InChIKeyBODPWXQMNACCCN-MMNPAVHPSA-N
XLogP3.83
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.42
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(1S)-1-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-(2-phenyl-1,3-oxazol-4-yl)acetamide with MolForge

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Related Compounds

N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-phenoxyacetamide
CID 2932687
N-[(1R)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-[2-(furan-2-yl)-1,3-thiazol-4-yl]acetamide
CID 98603130
2-methyl-N-[2-[[2-(2-phenyl-1,3-oxazol-4-yl)acetyl]amino]ethyl]propanamide
CID 39436445
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-3,3-diphenylpropanamide
CID 4526880
2-(1,2-benzoxazol-3-yl)-N-[(1R)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]acetamide
CID 98513197
N-[1-(2-methylphenyl)ethyl]-2-(2-phenyl-1,3-oxazol-4-yl)acetamide
CID 51262103
N-[(1S)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-(1-phenylpyrazol-4-yl)acetamide
CID 98750977
N-[(1S)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-(4-chlorophenyl)acetamide
CID 129376608
1-[(1S)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-3-phenylurea
CID 98258446
N-[(1S)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-(2-nitrophenyl)acetamide
CID 98752047
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]acetamide
CID 55515872
N-[(1R)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-(2-oxo-1-pyridinyl)acetamide
CID 129377497

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-(2-phenyl-1,3-oxazol-4-yl)acetamide?
The IUPAC name of N-[(1S)-1-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-(2-phenyl-1,3-oxazol-4-yl)acetamide (CID 98375689) is N-[(1S)-1-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-(2-phenyl-1,3-oxazol-4-yl)acetamide.
What is the SMILES notation for N-[(1S)-1-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-(2-phenyl-1,3-oxazol-4-yl)acetamide?
The canonical SMILES for N-[(1S)-1-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-(2-phenyl-1,3-oxazol-4-yl)acetamide is C[C@H](NC(=O)Cc1coc(-c2ccccc2)n1)[C@@H]1C[C@@H]2CC[C@@H]1C2.
What is the InChIKey of N-[(1S)-1-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-(2-phenyl-1,3-oxazol-4-yl)acetamide?
The InChIKey is BODPWXQMNACCCN-MMNPAVHPSA-N. The full InChI is InChI=1S/C20H24N2O2/c1-13(18-10-14-7-8-16(18)9-14)21-19(23)11-17-12-24-20(22-17)15-5-3-2-4-6-15/h2-6,12-14,16,18H,7-11H2,1H3,(H,21,23)/t13-,14+,16+,18-/m0/s1.
What are the key properties of N-[(1S)-1-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-(2-phenyl-1,3-oxazol-4-yl)acetamide?
N-[(1S)-1-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-(2-phenyl-1,3-oxazol-4-yl)acetamide has a molecular weight of 324.42 g/mol, XLogP of 3.83, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-(2-phenyl-1,3-oxazol-4-yl)acetamide is sourced from PubChem (CID 98375689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).