N-[1'-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]spiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]acetamide

C22H27N3O4 — CID 134789349

IUPACN-[1'-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]spiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]acetamide
SMILESCC(=O)NC1CC2(CCN(C(=O)Cc3c(C)noc3C)CC2)Oc2ccccc21
InChIInChI=1S/C22H27N3O4/c1-14-18(15(2)29-24-14)12-21(27)25-10-8-22(9-11-25)13-19(23-16(3)26)17-6-4-5-7-20(17)28-22/h4-7,19H,8-13H2,1-3H3,(H,23,26)
InChIKeyXYOSHLVNTDNDKP-UHFFFAOYSA-N
MW397.48 g/mol
LogP2.86
Rot. Bonds3

About N-[1'-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]spiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]acetamide

N-[1'-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]spiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]acetamide (PubChem CID 134789349) has the molecular formula C22H27N3O4 and a molecular weight of 397.48 g/mol. Its IUPAC name is N-[1'-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]spiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]acetamide.

Molecular Properties

Compound NameN-[1'-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]spiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]acetamide
PubChem CID134789349
Molecular FormulaC22H27N3O4
Molecular Weight397.48 g/mol
Exact Mass397.20
IUPAC NameN-[1'-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]spiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]acetamide
SMILESCC(=O)NC1CC2(CCN(C(=O)Cc3c(C)noc3C)CC2)Oc2ccccc21
InChIInChI=1S/C22H27N3O4/c1-14-18(15(2)29-24-14)12-21(27)25-10-8-22(9-11-25)13-19(23-16(3)26)17-6-4-5-7-20(17)28-22/h4-7,19H,8-13H2,1-3H3,(H,23,26)
InChIKeyXYOSHLVNTDNDKP-UHFFFAOYSA-N
XLogP2.86
TPSA84.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.48
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1'-[3-(1H-indol-3-yl)propanoyl]spiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]acetamide
CID 171922054
3,5-dimethyl-N-(1'-methyl-2'-oxospiro[3,4-dihydrochromene-2,5'-azepane]-4-yl)-1,2-oxazole-4-carboxamide
CID 110212861
3,5-dimethyl-N-spiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl-1,2-oxazole-4-carboxamide;hydrochloride
CID 155835554
1-(9-benzyl-3,9-diazaspiro[5.5]undecan-3-yl)-2-(3,5-dimethyl-1,2-oxazol-4-yl)ethanone
CID 154741195
CID 134790259
CID 134790259
2-(4-methyl-1,2,5-oxadiazol-3-yl)-N-[(2S,4R)-1'-methyl-2'-oxospiro[3,4-dihydrochromene-2,5'-azepane]-4-yl]acetamide
CID 51596542
1-(4-benzoylpiperidin-1-yl)-2-(3,5-dimethyl-1,2-oxazol-4-yl)ethanone
CID 18133741
1-(4-cyclopropylidenepiperidin-1-yl)-2-(3,5-dimethyl-1,2-oxazol-4-yl)ethanone
CID 121184167
1-[4-[2-(2,6-dichlorophenyl)acetyl]piperazin-1-yl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)ethanone
CID 86877503
2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(4-pyrazolo[1,5-a]pyrimidin-5-ylpiperidin-1-yl)ethanone
CID 110132853
1-(5-ethyl-3-methyl-1,2-oxazol-4-yl)-3-spiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-ylurea
CID 127675571
2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]ethanone
CID 47022417

Frequently Asked Questions

What is the IUPAC name of N-[1'-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]spiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]acetamide?
The IUPAC name of N-[1'-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]spiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]acetamide (CID 134789349) is N-[1'-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]spiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]acetamide.
What is the SMILES notation for N-[1'-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]spiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]acetamide?
The canonical SMILES for N-[1'-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]spiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]acetamide is CC(=O)NC1CC2(CCN(C(=O)Cc3c(C)noc3C)CC2)Oc2ccccc21.
What is the InChIKey of N-[1'-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]spiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]acetamide?
The InChIKey is XYOSHLVNTDNDKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O4/c1-14-18(15(2)29-24-14)12-21(27)25-10-8-22(9-11-25)13-19(23-16(3)26)17-6-4-5-7-20(17)28-22/h4-7,19H,8-13H2,1-3H3,(H,23,26).
What are the key properties of N-[1'-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]spiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]acetamide?
N-[1'-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]spiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]acetamide has a molecular weight of 397.48 g/mol, XLogP of 2.86, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1'-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]spiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]acetamide is sourced from PubChem (CID 134789349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).