2-(1,2-benzoxazol-3-yl)-N-[(3S,4S)-4-piperidin-1-yloxolan-3-yl]acetamide

C18H23N3O3 — CID 133260546

IUPAC2-(1,2-benzoxazol-3-yl)-N-[(3S,4S)-4-piperidin-1-yloxolan-3-yl]acetamide
SMILESO=C(Cc1noc2ccccc12)N[C@@H]1COC[C@H]1N1CCCCC1
InChIInChI=1S/C18H23N3O3/c22-18(10-14-13-6-2-3-7-17(13)24-20-14)19-15-11-23-12-16(15)21-8-4-1-5-9-21/h2-3,6-7,15-16H,1,4-5,8-12H2,(H,19,22)/t15-,16-/m1/s1
InChIKeyXSOUZZAZMQSWBK-HZPDHXFCSA-N
MW329.40 g/mol
LogP1.74
Rot. Bonds4

About 2-(1,2-benzoxazol-3-yl)-N-[(3S,4S)-4-piperidin-1-yloxolan-3-yl]acetamide

2-(1,2-benzoxazol-3-yl)-N-[(3S,4S)-4-piperidin-1-yloxolan-3-yl]acetamide (PubChem CID 133260546) has the molecular formula C18H23N3O3 and a molecular weight of 329.40 g/mol. Its IUPAC name is 2-(1,2-benzoxazol-3-yl)-N-[(3S,4S)-4-piperidin-1-yloxolan-3-yl]acetamide.

Molecular Properties

Compound Name2-(1,2-benzoxazol-3-yl)-N-[(3S,4S)-4-piperidin-1-yloxolan-3-yl]acetamide
PubChem CID133260546
Molecular FormulaC18H23N3O3
Molecular Weight329.40 g/mol
Exact Mass329.17
IUPAC Name2-(1,2-benzoxazol-3-yl)-N-[(3S,4S)-4-piperidin-1-yloxolan-3-yl]acetamide
SMILESO=C(Cc1noc2ccccc12)N[C@@H]1COC[C@H]1N1CCCCC1
InChIInChI=1S/C18H23N3O3/c22-18(10-14-13-6-2-3-7-17(13)24-20-14)19-15-11-23-12-16(15)21-8-4-1-5-9-21/h2-3,6-7,15-16H,1,4-5,8-12H2,(H,19,22)/t15-,16-/m1/s1
InChIKeyXSOUZZAZMQSWBK-HZPDHXFCSA-N
XLogP1.74
TPSA67.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[[2-(1,2-benzoxazol-3-yl)acetyl]amino]oxolane-3-carboxylic acid
CID 66221426
2-(1,2-benzoxazol-3-yl)-N-[(3S,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]acetamide
CID 163318902
2-(2-methyl-1H-indol-3-yl)-N-(4-piperidin-1-yloxolan-3-yl)acetamide
CID 171359124
N-[(3R,4R)-4-pyrrolidin-1-yloxolan-3-yl]-2-thiophen-2-ylacetamide
CID 122560557
2-(1,2-benzoxazol-3-yl)-N-(2-phenylcyclopropyl)acetamide
CID 86843710
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(3R,4R)-4-piperidin-1-yloxolan-3-yl]acetamide
CID 118767384
3-phenoxy-N-[(3R,4R)-4-piperidin-1-yloxolan-3-yl]propanamide
CID 91788231
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(3R,4R)-4-pyrrolidin-1-yloxolan-3-yl]acetamide
CID 122556067
2-(1,2-benzoxazol-3-yl)-N-[(2R,3S,4S)-3-hydroxy-2-(hydroxymethyl)oxan-4-yl]acetamide
CID 154569542
2-(1,2-benzoxazol-3-yl)-1-[(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]ethanone
CID 79410823
2-(1,2-benzoxazol-3-yl)-N-[2-(cyclohexylamino)-2-oxoethyl]acetamide
CID 71935457
N-[4-(azepane-1-carbonyl)phenyl]-2-(1,2-benzoxazol-3-yl)acetamide
CID 71890231

Frequently Asked Questions

What is the IUPAC name of 2-(1,2-benzoxazol-3-yl)-N-[(3S,4S)-4-piperidin-1-yloxolan-3-yl]acetamide?
The IUPAC name of 2-(1,2-benzoxazol-3-yl)-N-[(3S,4S)-4-piperidin-1-yloxolan-3-yl]acetamide (CID 133260546) is 2-(1,2-benzoxazol-3-yl)-N-[(3S,4S)-4-piperidin-1-yloxolan-3-yl]acetamide.
What is the SMILES notation for 2-(1,2-benzoxazol-3-yl)-N-[(3S,4S)-4-piperidin-1-yloxolan-3-yl]acetamide?
The canonical SMILES for 2-(1,2-benzoxazol-3-yl)-N-[(3S,4S)-4-piperidin-1-yloxolan-3-yl]acetamide is O=C(Cc1noc2ccccc12)N[C@@H]1COC[C@H]1N1CCCCC1.
What is the InChIKey of 2-(1,2-benzoxazol-3-yl)-N-[(3S,4S)-4-piperidin-1-yloxolan-3-yl]acetamide?
The InChIKey is XSOUZZAZMQSWBK-HZPDHXFCSA-N. The full InChI is InChI=1S/C18H23N3O3/c22-18(10-14-13-6-2-3-7-17(13)24-20-14)19-15-11-23-12-16(15)21-8-4-1-5-9-21/h2-3,6-7,15-16H,1,4-5,8-12H2,(H,19,22)/t15-,16-/m1/s1.
What are the key properties of 2-(1,2-benzoxazol-3-yl)-N-[(3S,4S)-4-piperidin-1-yloxolan-3-yl]acetamide?
2-(1,2-benzoxazol-3-yl)-N-[(3S,4S)-4-piperidin-1-yloxolan-3-yl]acetamide has a molecular weight of 329.40 g/mol, XLogP of 1.74, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,2-benzoxazol-3-yl)-N-[(3S,4S)-4-piperidin-1-yloxolan-3-yl]acetamide is sourced from PubChem (CID 133260546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).