2-(1,2-benzoxazol-3-yl)-1-[(5S)-2-oxa-9-azaspiro[4.5]decan-9-yl]ethanone

C17H20N2O3 — CID 97280143

IUPAC2-(1,2-benzoxazol-3-yl)-1-[(5S)-2-oxa-9-azaspiro[4.5]decan-9-yl]ethanone
SMILESO=C(Cc1noc2ccccc12)N1CCC[C@]2(CCOC2)C1
InChIInChI=1S/C17H20N2O3/c20-16(10-14-13-4-1-2-5-15(13)22-18-14)19-8-3-6-17(11-19)7-9-21-12-17/h1-2,4-5H,3,6-12H2/t17-/m0/s1
InChIKeyHATSJFQUGWBXKL-KRWDZBQOSA-N
MW300.36 g/mol
LogP2.40
Rot. Bonds2

About 2-(1,2-benzoxazol-3-yl)-1-[(5S)-2-oxa-9-azaspiro[4.5]decan-9-yl]ethanone

2-(1,2-benzoxazol-3-yl)-1-[(5S)-2-oxa-9-azaspiro[4.5]decan-9-yl]ethanone (PubChem CID 97280143) has the molecular formula C17H20N2O3 and a molecular weight of 300.36 g/mol. Its IUPAC name is 2-(1,2-benzoxazol-3-yl)-1-[(5S)-2-oxa-9-azaspiro[4.5]decan-9-yl]ethanone.

Molecular Properties

Compound Name2-(1,2-benzoxazol-3-yl)-1-[(5S)-2-oxa-9-azaspiro[4.5]decan-9-yl]ethanone
PubChem CID97280143
Molecular FormulaC17H20N2O3
Molecular Weight300.36 g/mol
Exact Mass300.15
IUPAC Name2-(1,2-benzoxazol-3-yl)-1-[(5S)-2-oxa-9-azaspiro[4.5]decan-9-yl]ethanone
SMILESO=C(Cc1noc2ccccc12)N1CCC[C@]2(CCOC2)C1
InChIInChI=1S/C17H20N2O3/c20-16(10-14-13-4-1-2-5-15(13)22-18-14)19-8-3-6-17(11-19)7-9-21-12-17/h1-2,4-5H,3,6-12H2/t17-/m0/s1
InChIKeyHATSJFQUGWBXKL-KRWDZBQOSA-N
XLogP2.40
TPSA55.57 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-(1,2-benzoxazol-3-yl)-1-[(5S)-2-oxa-9-azaspiro[4.5]decan-9-yl]ethanone 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)-1-(3-hydroxy-3-methylpiperidin-1-yl)ethanone
CID 115874936
2-(1,2-benzoxazol-3-yl)-1-morpholin-4-ylethanone
CID 29202132
1-[(5R)-2-oxa-9-azaspiro[4.5]decan-9-yl]-2-[2-(trifluoromethyl)phenyl]ethanone
CID 97145730
3-(1H-indol-3-yl)-1-[(5R)-2-oxa-9-azaspiro[4.5]decan-9-yl]propan-1-one
CID 97122997
2-(1,2-benzoxazol-3-yl)-1-(3-bromopiperidin-1-yl)ethanone
CID 80659996
2-(1,2-benzoxazol-3-yl)-1-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]ethanone
CID 46612809
2-(1,2-benzoxazol-3-yl)-1-(1,4-thiazepan-4-yl)ethanone
CID 56813264
2-(4-methylsulfonylphenyl)-1-[(5S)-2-oxa-9-azaspiro[4.5]decan-9-yl]ethanone
CID 97125075
2-(1,2-benzoxazol-3-yl)-1-[(3S)-3-hydroxypiperidin-1-yl]ethanone
CID 107224813
2-(1,2-benzoxazol-3-yl)-1-(4-cyclopropylidenepiperidin-1-yl)ethanone
CID 121187000
8-[2-(1,2-benzoxazol-3-yl)acetyl]-2-ethyl-2,8-diazaspiro[4.5]decan-3-one
CID 155873513
2-(1,2-benzoxazol-3-yl)-1-[(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]ethanone
CID 79410823

Frequently Asked Questions

What is the IUPAC name of 2-(1,2-benzoxazol-3-yl)-1-[(5S)-2-oxa-9-azaspiro[4.5]decan-9-yl]ethanone?
The IUPAC name of 2-(1,2-benzoxazol-3-yl)-1-[(5S)-2-oxa-9-azaspiro[4.5]decan-9-yl]ethanone (CID 97280143) is 2-(1,2-benzoxazol-3-yl)-1-[(5S)-2-oxa-9-azaspiro[4.5]decan-9-yl]ethanone.
What is the SMILES notation for 2-(1,2-benzoxazol-3-yl)-1-[(5S)-2-oxa-9-azaspiro[4.5]decan-9-yl]ethanone?
The canonical SMILES for 2-(1,2-benzoxazol-3-yl)-1-[(5S)-2-oxa-9-azaspiro[4.5]decan-9-yl]ethanone is O=C(Cc1noc2ccccc12)N1CCC[C@]2(CCOC2)C1.
What is the InChIKey of 2-(1,2-benzoxazol-3-yl)-1-[(5S)-2-oxa-9-azaspiro[4.5]decan-9-yl]ethanone?
The InChIKey is HATSJFQUGWBXKL-KRWDZBQOSA-N. The full InChI is InChI=1S/C17H20N2O3/c20-16(10-14-13-4-1-2-5-15(13)22-18-14)19-8-3-6-17(11-19)7-9-21-12-17/h1-2,4-5H,3,6-12H2/t17-/m0/s1.
What are the key properties of 2-(1,2-benzoxazol-3-yl)-1-[(5S)-2-oxa-9-azaspiro[4.5]decan-9-yl]ethanone?
2-(1,2-benzoxazol-3-yl)-1-[(5S)-2-oxa-9-azaspiro[4.5]decan-9-yl]ethanone has a molecular weight of 300.36 g/mol, XLogP of 2.40, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,2-benzoxazol-3-yl)-1-[(5S)-2-oxa-9-azaspiro[4.5]decan-9-yl]ethanone is sourced from PubChem (CID 97280143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).