2-[1-[2-[[2-(2-anilino-1,3-benzoxazol-6-yl)acetyl]amino]acetyl]piperidin-2-yl]acetic acid

C24H26N4O5 — CID 44571322

IUPAC2-[1-[2-[[2-(2-anilino-1,3-benzoxazol-6-yl)acetyl]amino]acetyl]piperidin-2-yl]acetic acid
SMILESO=C(O)CC1CCCCN1C(=O)CNC(=O)Cc1ccc2nc(Nc3ccccc3)oc2c1
InChIInChI=1S/C24H26N4O5/c29-21(25-15-22(30)28-11-5-4-8-18(28)14-23(31)32)13-16-9-10-19-20(12-16)33-24(27-19)26-17-6-2-1-3-7-17/h1-3,6-7,9-10,12,18H,4-5,8,11,13-15H2,(H,25,29)(H,26,27)(H,31,32)
InChIKeyOGIDFAADTOXSPY-UHFFFAOYSA-N
MW450.50 g/mol
LogP3.09
Rot. Bonds8

About 2-[1-[2-[[2-(2-anilino-1,3-benzoxazol-6-yl)acetyl]amino]acetyl]piperidin-2-yl]acetic acid

2-[1-[2-[[2-(2-anilino-1,3-benzoxazol-6-yl)acetyl]amino]acetyl]piperidin-2-yl]acetic acid (PubChem CID 44571322) has the molecular formula C24H26N4O5 and a molecular weight of 450.50 g/mol. Its IUPAC name is 2-[1-[2-[[2-(2-anilino-1,3-benzoxazol-6-yl)acetyl]amino]acetyl]piperidin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[1-[2-[[2-(2-anilino-1,3-benzoxazol-6-yl)acetyl]amino]acetyl]piperidin-2-yl]acetic acid
PubChem CID44571322
Molecular FormulaC24H26N4O5
Molecular Weight450.50 g/mol
Exact Mass450.19
IUPAC Name2-[1-[2-[[2-(2-anilino-1,3-benzoxazol-6-yl)acetyl]amino]acetyl]piperidin-2-yl]acetic acid
SMILESO=C(O)CC1CCCCN1C(=O)CNC(=O)Cc1ccc2nc(Nc3ccccc3)oc2c1
InChIInChI=1S/C24H26N4O5/c29-21(25-15-22(30)28-11-5-4-8-18(28)14-23(31)32)13-16-9-10-19-20(12-16)33-24(27-19)26-17-6-2-1-3-7-17/h1-3,6-7,9-10,12,18H,4-5,8,11,13-15H2,(H,25,29)(H,26,27)(H,31,32)
InChIKeyOGIDFAADTOXSPY-UHFFFAOYSA-N
XLogP3.09
TPSA124.77 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.50
LogP ≤ 53.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 2-[1-[2-[[2-(2-anilino-1,3-benzoxazol-6-yl)acetyl]amino]acetyl]piperidin-2-yl]acetic acid with MolForge

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Related Compounds

2-[1-(2-anilinoacetyl)pyrrolidin-2-yl]acetic acid
CID 61372139
4-[[(2S)-1-[2-(2-anilino-1,3-benzoxazol-6-yl)acetyl]-4-fluoropyrrolidin-2-yl]methoxy]benzaldehyde
CID 88905370
2-[1-[2-(furan-2-carbonylamino)acetyl]pyrrolidin-2-yl]acetic acid
CID 61371275
N-[2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-2-phenylacetamide
CID 99609425
N-[2-[2-(aminomethyl)pyrrolidin-1-yl]-2-oxoethyl]-2-phenylacetamide
CID 119631388
2-[4-[2-[(2-phenylacetyl)amino]acetyl]thiomorpholin-3-yl]acetic acid
CID 119210083
2-[1-(2-pyridin-4-ylacetyl)piperidin-2-yl]acetic acid
CID 54899853
2-[(2S)-1-[2-(1,3-dihydroisoindol-2-yl)acetyl]piperidin-2-yl]acetic acid
CID 125175276
3-amino-N-[[1-[2-[[2-(3-fluorophenyl)acetyl]amino]acetyl]piperidin-2-yl]methyl]propanamide
CID 120578113
2-[(2R)-1-[2-(dimethylcarbamoylamino)acetyl]piperidin-2-yl]acetic acid
CID 126443322
2-acetamido-N-[2-[(2R)-2-benzylpiperidin-1-yl]-2-oxoethyl]acetamide
CID 95286390
N-phenyl-1-[2-[(2-phenylacetyl)amino]acetyl]pyrrolidine-2-carboxamide
CID 119032269

Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-[[2-(2-anilino-1,3-benzoxazol-6-yl)acetyl]amino]acetyl]piperidin-2-yl]acetic acid?
The IUPAC name of 2-[1-[2-[[2-(2-anilino-1,3-benzoxazol-6-yl)acetyl]amino]acetyl]piperidin-2-yl]acetic acid (CID 44571322) is 2-[1-[2-[[2-(2-anilino-1,3-benzoxazol-6-yl)acetyl]amino]acetyl]piperidin-2-yl]acetic acid.
What is the SMILES notation for 2-[1-[2-[[2-(2-anilino-1,3-benzoxazol-6-yl)acetyl]amino]acetyl]piperidin-2-yl]acetic acid?
The canonical SMILES for 2-[1-[2-[[2-(2-anilino-1,3-benzoxazol-6-yl)acetyl]amino]acetyl]piperidin-2-yl]acetic acid is O=C(O)CC1CCCCN1C(=O)CNC(=O)Cc1ccc2nc(Nc3ccccc3)oc2c1.
What is the InChIKey of 2-[1-[2-[[2-(2-anilino-1,3-benzoxazol-6-yl)acetyl]amino]acetyl]piperidin-2-yl]acetic acid?
The InChIKey is OGIDFAADTOXSPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O5/c29-21(25-15-22(30)28-11-5-4-8-18(28)14-23(31)32)13-16-9-10-19-20(12-16)33-24(27-19)26-17-6-2-1-3-7-17/h1-3,6-7,9-10,12,18H,4-5,8,11,13-15H2,(H,25,29)(H,26,27)(H,31,32).
What are the key properties of 2-[1-[2-[[2-(2-anilino-1,3-benzoxazol-6-yl)acetyl]amino]acetyl]piperidin-2-yl]acetic acid?
2-[1-[2-[[2-(2-anilino-1,3-benzoxazol-6-yl)acetyl]amino]acetyl]piperidin-2-yl]acetic acid has a molecular weight of 450.50 g/mol, XLogP of 3.09, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-[[2-(2-anilino-1,3-benzoxazol-6-yl)acetyl]amino]acetyl]piperidin-2-yl]acetic acid is sourced from PubChem (CID 44571322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).