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

C18H22N2O2 — CID 98755527

IUPAC2-(1,2-benzoxazol-3-yl)-N-[2-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]acetamide
SMILESO=C(Cc1noc2ccccc12)NCC[C@H]1C[C@H]2CC[C@H]1C2
InChIInChI=1S/C18H22N2O2/c21-18(11-16-15-3-1-2-4-17(15)22-20-16)19-8-7-14-10-12-5-6-13(14)9-12/h1-4,12-14H,5-11H2,(H,19,21)/t12-,13-,14-/m0/s1
InChIKeyZCUOARIUNGNTQD-IHRRRGAJSA-N
MW298.39 g/mol
LogP3.31
Rot. Bonds5

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

2-(1,2-benzoxazol-3-yl)-N-[2-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]acetamide (PubChem CID 98755527) has the molecular formula C18H22N2O2 and a molecular weight of 298.39 g/mol. Its IUPAC name is 2-(1,2-benzoxazol-3-yl)-N-[2-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]acetamide.

Molecular Properties

Compound Name2-(1,2-benzoxazol-3-yl)-N-[2-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]acetamide
PubChem CID98755527
Molecular FormulaC18H22N2O2
Molecular Weight298.39 g/mol
Exact Mass298.17
IUPAC Name2-(1,2-benzoxazol-3-yl)-N-[2-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]acetamide
SMILESO=C(Cc1noc2ccccc12)NCC[C@H]1C[C@H]2CC[C@H]1C2
InChIInChI=1S/C18H22N2O2/c21-18(11-16-15-3-1-2-4-17(15)22-20-16)19-8-7-14-10-12-5-6-13(14)9-12/h1-4,12-14H,5-11H2,(H,19,21)/t12-,13-,14-/m0/s1
InChIKeyZCUOARIUNGNTQD-IHRRRGAJSA-N
XLogP3.31
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(1,2-benzoxazol-3-yl)-N-[2-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]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

2-(1,2-benzoxazol-3-yl)-N-[(1R)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]acetamide
CID 98513197
2-(1,2-benzoxazol-3-yl)-N-[2-(1-propan-2-ylpiperidin-3-yl)ethyl]acetamide
CID 56703214
N-[2-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-(2-hydroxyphenoxy)acetamide
CID 78843390
N-[2-(2-bicyclo[2.2.1]heptanyl)ethyl]quinoline-4-carboxamide
CID 112835510
2-(1,2-benzoxazol-3-yl)-N-(2-morpholin-4-ylethyl)acetamide
CID 22519680
2-(1,2-benzoxazol-3-yl)-N-[2-(cyclohexylamino)-2-oxoethyl]acetamide
CID 71935457
2-(1,2-benzoxazol-3-yl)-N-[2-(4-methylpiperazin-1-yl)ethyl]acetamide
CID 22519759
2-(1,2-benzoxazol-3-yl)-N-(3-hydroxy-4-methylpentyl)acetamide
CID 111461213
2-(1,2-benzoxazol-3-yl)-N-(4-morpholin-4-ylbutyl)acetamide
CID 51082256
1-[[[2-(1,2-benzoxazol-3-yl)acetyl]amino]methyl]cyclopropane-1-carboxylic acid
CID 115449783
2-(1,2-benzoxazol-3-yl)-N-(2,3-dihydroxy-2-methylpropyl)acetamide
CID 66170629
2-(1,2-benzoxazol-3-yl)-N-(2-phenylcyclopropyl)acetamide
CID 86843710

Frequently Asked Questions

What is the IUPAC name of 2-(1,2-benzoxazol-3-yl)-N-[2-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]acetamide?
The IUPAC name of 2-(1,2-benzoxazol-3-yl)-N-[2-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]acetamide (CID 98755527) is 2-(1,2-benzoxazol-3-yl)-N-[2-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]acetamide.
What is the SMILES notation for 2-(1,2-benzoxazol-3-yl)-N-[2-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]acetamide?
The canonical SMILES for 2-(1,2-benzoxazol-3-yl)-N-[2-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]acetamide is O=C(Cc1noc2ccccc12)NCC[C@H]1C[C@H]2CC[C@H]1C2.
What is the InChIKey of 2-(1,2-benzoxazol-3-yl)-N-[2-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]acetamide?
The InChIKey is ZCUOARIUNGNTQD-IHRRRGAJSA-N. The full InChI is InChI=1S/C18H22N2O2/c21-18(11-16-15-3-1-2-4-17(15)22-20-16)19-8-7-14-10-12-5-6-13(14)9-12/h1-4,12-14H,5-11H2,(H,19,21)/t12-,13-,14-/m0/s1.
What are the key properties of 2-(1,2-benzoxazol-3-yl)-N-[2-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]acetamide?
2-(1,2-benzoxazol-3-yl)-N-[2-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]acetamide has a molecular weight of 298.39 g/mol, XLogP of 3.31, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,2-benzoxazol-3-yl)-N-[2-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]acetamide is sourced from PubChem (CID 98755527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).