2-(1,3-benzoxazol-2-yl)-N-[(1S,2S)-2-hydroxycyclooctyl]acetamide

C17H22N2O3 — CID 146038837

IUPAC2-(1,3-benzoxazol-2-yl)-N-[(1S,2S)-2-hydroxycyclooctyl]acetamide
SMILESO=C(Cc1nc2ccccc2o1)N[C@H]1CCCCCC[C@@H]1O
InChIInChI=1S/C17H22N2O3/c20-14-9-4-2-1-3-7-12(14)18-16(21)11-17-19-13-8-5-6-10-15(13)22-17/h5-6,8,10,12,14,20H,1-4,7,9,11H2,(H,18,21)/t12-,14-/m0/s1
InChIKeyPPKRHHGKQHAFFQ-JSGCOSHPSA-N
MW302.37 g/mol
LogP2.57
Rot. Bonds3

About 2-(1,3-benzoxazol-2-yl)-N-[(1S,2S)-2-hydroxycyclooctyl]acetamide

2-(1,3-benzoxazol-2-yl)-N-[(1S,2S)-2-hydroxycyclooctyl]acetamide (PubChem CID 146038837) has the molecular formula C17H22N2O3 and a molecular weight of 302.37 g/mol. Its IUPAC name is 2-(1,3-benzoxazol-2-yl)-N-[(1S,2S)-2-hydroxycyclooctyl]acetamide.

Molecular Properties

Compound Name2-(1,3-benzoxazol-2-yl)-N-[(1S,2S)-2-hydroxycyclooctyl]acetamide
PubChem CID146038837
Molecular FormulaC17H22N2O3
Molecular Weight302.37 g/mol
Exact Mass302.16
IUPAC Name2-(1,3-benzoxazol-2-yl)-N-[(1S,2S)-2-hydroxycyclooctyl]acetamide
SMILESO=C(Cc1nc2ccccc2o1)N[C@H]1CCCCCC[C@@H]1O
InChIInChI=1S/C17H22N2O3/c20-14-9-4-2-1-3-7-12(14)18-16(21)11-17-19-13-8-5-6-10-15(13)22-17/h5-6,8,10,12,14,20H,1-4,7,9,11H2,(H,18,21)/t12-,14-/m0/s1
InChIKeyPPKRHHGKQHAFFQ-JSGCOSHPSA-N
XLogP2.57
TPSA75.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.37
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-(1,3-benzoxazol-2-yl)-N-[(1S,2S)-2-hydroxycyclooctyl]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-(1,3-benzoxazol-2-yl)-N-(thiolan-3-yl)acetamide
CID 45214897
1-(1,3-benzoxazol-2-ylmethyl)-3-cyclohexylurea
CID 110747198
N-(1,3-benzoxazol-2-ylmethyl)cyclohexanecarboxamide
CID 110711622
2-(1,3-benzoxazol-2-yl)-1-(oxan-2-yl)ethanone
CID 62214070
2-(1,3-benzoxazol-2-yl)-1-(oxan-4-yl)ethanone
CID 62905162
4-(1,3-benzoxazol-2-ylmethyl)-N-cyclohexylpiperazine-1-carboxamide
CID 33409511
2-(1,3-benzoxazol-2-ylsulfanyl)-N-[(1R,2S)-2-methylcyclohexyl]acetamide
CID 890231
N-[(1R,2R)-2-hydroxycyclohexyl]-2-naphthalen-2-ylacetamide
CID 104927093
sodium 2-(1,3-benzoxazol-2-yl)acetate
CID 75531246
N-(2-hydroxycyclohexyl)-2-(4-hydroxyphenyl)acetamide
CID 62361084
2-(1,3-benzoxazol-2-yl)-1-cyclooctylethanol
CID 66460866
4-(1,3-benzoxazol-2-ylmethyl)-N-cyclopentylpiperazine-1-carboxamide
CID 53078498

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-benzoxazol-2-yl)-N-[(1S,2S)-2-hydroxycyclooctyl]acetamide?
The IUPAC name of 2-(1,3-benzoxazol-2-yl)-N-[(1S,2S)-2-hydroxycyclooctyl]acetamide (CID 146038837) is 2-(1,3-benzoxazol-2-yl)-N-[(1S,2S)-2-hydroxycyclooctyl]acetamide.
What is the SMILES notation for 2-(1,3-benzoxazol-2-yl)-N-[(1S,2S)-2-hydroxycyclooctyl]acetamide?
The canonical SMILES for 2-(1,3-benzoxazol-2-yl)-N-[(1S,2S)-2-hydroxycyclooctyl]acetamide is O=C(Cc1nc2ccccc2o1)N[C@H]1CCCCCC[C@@H]1O.
What is the InChIKey of 2-(1,3-benzoxazol-2-yl)-N-[(1S,2S)-2-hydroxycyclooctyl]acetamide?
The InChIKey is PPKRHHGKQHAFFQ-JSGCOSHPSA-N. The full InChI is InChI=1S/C17H22N2O3/c20-14-9-4-2-1-3-7-12(14)18-16(21)11-17-19-13-8-5-6-10-15(13)22-17/h5-6,8,10,12,14,20H,1-4,7,9,11H2,(H,18,21)/t12-,14-/m0/s1.
What are the key properties of 2-(1,3-benzoxazol-2-yl)-N-[(1S,2S)-2-hydroxycyclooctyl]acetamide?
2-(1,3-benzoxazol-2-yl)-N-[(1S,2S)-2-hydroxycyclooctyl]acetamide has a molecular weight of 302.37 g/mol, XLogP of 2.57, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-benzoxazol-2-yl)-N-[(1S,2S)-2-hydroxycyclooctyl]acetamide is sourced from PubChem (CID 146038837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).