2-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]-N-(2-methyl-1,3-benzoxazol-5-yl)acetamide

C17H20N2O2 — CID 129430813

IUPAC2-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]-N-(2-methyl-1,3-benzoxazol-5-yl)acetamide
SMILESCc1nc2cc(NC(=O)C[C@H]3C[C@H]4CC[C@H]3C4)ccc2o1
InChIInChI=1S/C17H20N2O2/c1-10-18-15-9-14(4-5-16(15)21-10)19-17(20)8-13-7-11-2-3-12(13)6-11/h4-5,9,11-13H,2-3,6-8H2,1H3,(H,19,20)/t11-,12-,13+/m0/s1
InChIKeySKMCPOGKMKCQHU-RWMBFGLXSA-N
MW284.36 g/mol
LogP3.90
Rot. Bonds3

About 2-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]-N-(2-methyl-1,3-benzoxazol-5-yl)acetamide

2-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]-N-(2-methyl-1,3-benzoxazol-5-yl)acetamide (PubChem CID 129430813) has the molecular formula C17H20N2O2 and a molecular weight of 284.36 g/mol. Its IUPAC name is 2-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]-N-(2-methyl-1,3-benzoxazol-5-yl)acetamide.

Molecular Properties

Compound Name2-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]-N-(2-methyl-1,3-benzoxazol-5-yl)acetamide
PubChem CID129430813
Molecular FormulaC17H20N2O2
Molecular Weight284.36 g/mol
Exact Mass284.15
IUPAC Name2-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]-N-(2-methyl-1,3-benzoxazol-5-yl)acetamide
SMILESCc1nc2cc(NC(=O)C[C@H]3C[C@H]4CC[C@H]3C4)ccc2o1
InChIInChI=1S/C17H20N2O2/c1-10-18-15-9-14(4-5-16(15)21-10)19-17(20)8-13-7-11-2-3-12(13)6-11/h4-5,9,11-13H,2-3,6-8H2,1H3,(H,19,20)/t11-,12-,13+/m0/s1
InChIKeySKMCPOGKMKCQHU-RWMBFGLXSA-N
XLogP3.90
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-N-(4-methylphenyl)acetamide
CID 7733743
N-(2-methyl-1,3-benzoxazol-5-yl)-2-piperidin-4-ylacetamide;dihydrochloride
CID 119833735
N-(4-acetamidophenyl)-2-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]acetamide
CID 11914325
2-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]-N-naphthalen-2-ylacetamide
CID 23307105
2-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-N-naphthalen-2-ylacetamide
CID 7740170
2-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]-N-(3,5-dimethylphenyl)acetamide
CID 7774533
2-amino-N-(2-methyl-1,3-benzoxazol-5-yl)acetamide
CID 61273973
2-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-N-(3,5-dimethylphenyl)acetamide
CID 7774532
N-(3-acetamidophenyl)-2-(2-bicyclo[2.2.1]heptanyl)acetamide
CID 18074570
2-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
CID 11932194
3-amino-N-(2-methyl-1,3-benzoxazol-5-yl)propanamide
CID 61276265
2-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-N-(4-fluorophenyl)acetamide
CID 7947448

Frequently Asked Questions

What is the IUPAC name of 2-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]-N-(2-methyl-1,3-benzoxazol-5-yl)acetamide?
The IUPAC name of 2-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]-N-(2-methyl-1,3-benzoxazol-5-yl)acetamide (CID 129430813) is 2-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]-N-(2-methyl-1,3-benzoxazol-5-yl)acetamide.
What is the SMILES notation for 2-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]-N-(2-methyl-1,3-benzoxazol-5-yl)acetamide?
The canonical SMILES for 2-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]-N-(2-methyl-1,3-benzoxazol-5-yl)acetamide is Cc1nc2cc(NC(=O)C[C@H]3C[C@H]4CC[C@H]3C4)ccc2o1.
What is the InChIKey of 2-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]-N-(2-methyl-1,3-benzoxazol-5-yl)acetamide?
The InChIKey is SKMCPOGKMKCQHU-RWMBFGLXSA-N. The full InChI is InChI=1S/C17H20N2O2/c1-10-18-15-9-14(4-5-16(15)21-10)19-17(20)8-13-7-11-2-3-12(13)6-11/h4-5,9,11-13H,2-3,6-8H2,1H3,(H,19,20)/t11-,12-,13+/m0/s1.
What are the key properties of 2-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]-N-(2-methyl-1,3-benzoxazol-5-yl)acetamide?
2-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]-N-(2-methyl-1,3-benzoxazol-5-yl)acetamide has a molecular weight of 284.36 g/mol, XLogP of 3.90, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]-N-(2-methyl-1,3-benzoxazol-5-yl)acetamide is sourced from PubChem (CID 129430813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).