N-(3-ethyl-2-oxo-1,3-benzoxazol-6-yl)-2-(4-oxospiro[3H-1,3-benzoxazine-2,4'-piperidine]-1'-yl)acetamide

C23H24N4O5 — CID 126468319

IUPACN-(3-ethyl-2-oxo-1,3-benzoxazol-6-yl)-2-(4-oxospiro[3H-1,3-benzoxazine-2,4'-piperidine]-1'-yl)acetamide
SMILESCCn1c(=O)oc2cc(NC(=O)CN3CCC4(CC3)NC(=O)c3ccccc3O4)ccc21
InChIInChI=1S/C23H24N4O5/c1-2-27-17-8-7-15(13-19(17)31-22(27)30)24-20(28)14-26-11-9-23(10-12-26)25-21(29)16-5-3-4-6-18(16)32-23/h3-8,13H,2,9-12,14H2,1H3,(H,24,28)(H,25,29)
InChIKeyGRKXRQBLBAYHTL-UHFFFAOYSA-N
MW436.47 g/mol
LogP2.17
Rot. Bonds4

About N-(3-ethyl-2-oxo-1,3-benzoxazol-6-yl)-2-(4-oxospiro[3H-1,3-benzoxazine-2,4'-piperidine]-1'-yl)acetamide

N-(3-ethyl-2-oxo-1,3-benzoxazol-6-yl)-2-(4-oxospiro[3H-1,3-benzoxazine-2,4'-piperidine]-1'-yl)acetamide (PubChem CID 126468319) has the molecular formula C23H24N4O5 and a molecular weight of 436.47 g/mol. Its IUPAC name is N-(3-ethyl-2-oxo-1,3-benzoxazol-6-yl)-2-(4-oxospiro[3H-1,3-benzoxazine-2,4'-piperidine]-1'-yl)acetamide.

Molecular Properties

Compound NameN-(3-ethyl-2-oxo-1,3-benzoxazol-6-yl)-2-(4-oxospiro[3H-1,3-benzoxazine-2,4'-piperidine]-1'-yl)acetamide
PubChem CID126468319
Molecular FormulaC23H24N4O5
Molecular Weight436.47 g/mol
Exact Mass436.17
IUPAC NameN-(3-ethyl-2-oxo-1,3-benzoxazol-6-yl)-2-(4-oxospiro[3H-1,3-benzoxazine-2,4'-piperidine]-1'-yl)acetamide
SMILESCCn1c(=O)oc2cc(NC(=O)CN3CCC4(CC3)NC(=O)c3ccccc3O4)ccc21
InChIInChI=1S/C23H24N4O5/c1-2-27-17-8-7-15(13-19(17)31-22(27)30)24-20(28)14-26-11-9-23(10-12-26)25-21(29)16-5-3-4-6-18(16)32-23/h3-8,13H,2,9-12,14H2,1H3,(H,24,28)(H,25,29)
InChIKeyGRKXRQBLBAYHTL-UHFFFAOYSA-N
XLogP2.17
TPSA105.81 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.47
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[4-(4-oxospiro[3H-1,3-benzoxazine-2,4'-piperidine]-1'-yl)sulfonylphenyl]propanamide
CID 20954810
2-(4-oxospiro[3H-1,3-benzoxazine-2,4'-piperidine]-1'-yl)-N-(4-phenylbutan-2-yl)acetamide
CID 16672399
1'-(pyridin-2-ylmethyl)spiro[3H-1,3-benzoxazine-2,4'-piperidine]-4-one
CID 16669352
1'-ethylsulfonylspiro[3H-1,3-benzoxazine-2,4'-piperidine]-4-one
CID 20954795
methyl 5-[(3-ethyl-2-oxo-1,3-benzoxazol-6-yl)amino]-5-oxopentanoate
CID 50796907
N-(2-methyl-1,3-dioxoisoindol-5-yl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 1293188
2-(2-oxo-1,3-benzoxazol-3-yl)-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylacetamide
CID 17495957
1'-(2-methylpropanoyl)spiro[3H-1,3-benzoxazine-2,4'-piperidine]-4-one
CID 53016592
1-(3-ethyl-2-oxo-1,3-benzoxazol-6-yl)-3-(4-ethylphenyl)urea
CID 50796887
1'-[2-[(4aS,8aS)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-2-oxoethyl]spiro[3H-1,3-benzoxazine-2,4'-piperidine]-4-one
CID 51494577
2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(9,10-dioxoanthracen-2-yl)acetamide
CID 34224927
1-(3-acetylphenyl)-3-(3-ethyl-2-oxo-1,3-benzoxazol-6-yl)urea
CID 50796856

Frequently Asked Questions

What is the IUPAC name of N-(3-ethyl-2-oxo-1,3-benzoxazol-6-yl)-2-(4-oxospiro[3H-1,3-benzoxazine-2,4'-piperidine]-1'-yl)acetamide?
The IUPAC name of N-(3-ethyl-2-oxo-1,3-benzoxazol-6-yl)-2-(4-oxospiro[3H-1,3-benzoxazine-2,4'-piperidine]-1'-yl)acetamide (CID 126468319) is N-(3-ethyl-2-oxo-1,3-benzoxazol-6-yl)-2-(4-oxospiro[3H-1,3-benzoxazine-2,4'-piperidine]-1'-yl)acetamide.
What is the SMILES notation for N-(3-ethyl-2-oxo-1,3-benzoxazol-6-yl)-2-(4-oxospiro[3H-1,3-benzoxazine-2,4'-piperidine]-1'-yl)acetamide?
The canonical SMILES for N-(3-ethyl-2-oxo-1,3-benzoxazol-6-yl)-2-(4-oxospiro[3H-1,3-benzoxazine-2,4'-piperidine]-1'-yl)acetamide is CCn1c(=O)oc2cc(NC(=O)CN3CCC4(CC3)NC(=O)c3ccccc3O4)ccc21.
What is the InChIKey of N-(3-ethyl-2-oxo-1,3-benzoxazol-6-yl)-2-(4-oxospiro[3H-1,3-benzoxazine-2,4'-piperidine]-1'-yl)acetamide?
The InChIKey is GRKXRQBLBAYHTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O5/c1-2-27-17-8-7-15(13-19(17)31-22(27)30)24-20(28)14-26-11-9-23(10-12-26)25-21(29)16-5-3-4-6-18(16)32-23/h3-8,13H,2,9-12,14H2,1H3,(H,24,28)(H,25,29).
What are the key properties of N-(3-ethyl-2-oxo-1,3-benzoxazol-6-yl)-2-(4-oxospiro[3H-1,3-benzoxazine-2,4'-piperidine]-1'-yl)acetamide?
N-(3-ethyl-2-oxo-1,3-benzoxazol-6-yl)-2-(4-oxospiro[3H-1,3-benzoxazine-2,4'-piperidine]-1'-yl)acetamide has a molecular weight of 436.47 g/mol, XLogP of 2.17, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethyl-2-oxo-1,3-benzoxazol-6-yl)-2-(4-oxospiro[3H-1,3-benzoxazine-2,4'-piperidine]-1'-yl)acetamide is sourced from PubChem (CID 126468319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).