2-(2-oxo-1,3-benzoxazol-3-yl)-N-[[4-(piperidine-1-carbonyl)phenyl]methyl]acetamide

C22H23N3O4 — CID 131927904

IUPAC2-(2-oxo-1,3-benzoxazol-3-yl)-N-[[4-(piperidine-1-carbonyl)phenyl]methyl]acetamide
SMILESO=C(Cn1c(=O)oc2ccccc21)NCc1ccc(C(=O)N2CCCCC2)cc1
InChIInChI=1S/C22H23N3O4/c26-20(15-25-18-6-2-3-7-19(18)29-22(25)28)23-14-16-8-10-17(11-9-16)21(27)24-12-4-1-5-13-24/h2-3,6-11H,1,4-5,12-15H2,(H,23,26)
InChIKeyHAQUJFLYOWPHDC-UHFFFAOYSA-N
MW393.44 g/mol
LogP2.54
Rot. Bonds5

About 2-(2-oxo-1,3-benzoxazol-3-yl)-N-[[4-(piperidine-1-carbonyl)phenyl]methyl]acetamide

2-(2-oxo-1,3-benzoxazol-3-yl)-N-[[4-(piperidine-1-carbonyl)phenyl]methyl]acetamide (PubChem CID 131927904) has the molecular formula C22H23N3O4 and a molecular weight of 393.44 g/mol. Its IUPAC name is 2-(2-oxo-1,3-benzoxazol-3-yl)-N-[[4-(piperidine-1-carbonyl)phenyl]methyl]acetamide.

Molecular Properties

Compound Name2-(2-oxo-1,3-benzoxazol-3-yl)-N-[[4-(piperidine-1-carbonyl)phenyl]methyl]acetamide
PubChem CID131927904
Molecular FormulaC22H23N3O4
Molecular Weight393.44 g/mol
Exact Mass393.17
IUPAC Name2-(2-oxo-1,3-benzoxazol-3-yl)-N-[[4-(piperidine-1-carbonyl)phenyl]methyl]acetamide
SMILESO=C(Cn1c(=O)oc2ccccc21)NCc1ccc(C(=O)N2CCCCC2)cc1
InChIInChI=1S/C22H23N3O4/c26-20(15-25-18-6-2-3-7-19(18)29-22(25)28)23-14-16-8-10-17(11-9-16)21(27)24-12-4-1-5-13-24/h2-3,6-11H,1,4-5,12-15H2,(H,23,26)
InChIKeyHAQUJFLYOWPHDC-UHFFFAOYSA-N
XLogP2.54
TPSA84.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.44
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N,N-dimethyl-4-[[[2-(2-oxo-1,3-benzoxazol-3-yl)acetyl]amino]methyl]benzamide
CID 134039189
N-[(4-chlorophenyl)methyl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 3346299
2-(2-oxo-1,3-benzoxazol-3-yl)-N-[[4-(propan-2-yloxymethyl)phenyl]methyl]acetamide
CID 55748229
2-[2-(1-hydroxyethyl)benzimidazol-1-yl]-N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]acetamide
CID 112810656
2-(2-fluorophenyl)-N-[[4-(piperidine-1-carbonyl)phenyl]methyl]acetamide
CID 18159675
3-[2-[4-[2-(azepan-1-yl)-2-oxoethyl]piperazin-1-yl]-2-oxoethyl]-1,3-benzoxazol-2-one
CID 35609884
2-[2-oxo-5-(piperidine-1-carbonyl)-1,3-benzoxazol-3-yl]acetic acid
CID 20956124
N-[(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)methyl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 122352825
2-(2-oxo-1,3-benzoxazol-3-yl)-N-(2-piperidin-1-ylphenyl)acetamide
CID 18886697
N-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 131898863
N'-[2-(2-oxo-1,3-benzoxazol-3-yl)acetyl]cyclopentanecarbohydrazide
CID 75511657
N-cyclopentyl-2-[2-oxo-5-(pyrrolidine-1-carbonyl)-1,3-benzoxazol-3-yl]acetamide
CID 53006890

Frequently Asked Questions

What is the IUPAC name of 2-(2-oxo-1,3-benzoxazol-3-yl)-N-[[4-(piperidine-1-carbonyl)phenyl]methyl]acetamide?
The IUPAC name of 2-(2-oxo-1,3-benzoxazol-3-yl)-N-[[4-(piperidine-1-carbonyl)phenyl]methyl]acetamide (CID 131927904) is 2-(2-oxo-1,3-benzoxazol-3-yl)-N-[[4-(piperidine-1-carbonyl)phenyl]methyl]acetamide.
What is the SMILES notation for 2-(2-oxo-1,3-benzoxazol-3-yl)-N-[[4-(piperidine-1-carbonyl)phenyl]methyl]acetamide?
The canonical SMILES for 2-(2-oxo-1,3-benzoxazol-3-yl)-N-[[4-(piperidine-1-carbonyl)phenyl]methyl]acetamide is O=C(Cn1c(=O)oc2ccccc21)NCc1ccc(C(=O)N2CCCCC2)cc1.
What is the InChIKey of 2-(2-oxo-1,3-benzoxazol-3-yl)-N-[[4-(piperidine-1-carbonyl)phenyl]methyl]acetamide?
The InChIKey is HAQUJFLYOWPHDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O4/c26-20(15-25-18-6-2-3-7-19(18)29-22(25)28)23-14-16-8-10-17(11-9-16)21(27)24-12-4-1-5-13-24/h2-3,6-11H,1,4-5,12-15H2,(H,23,26).
What are the key properties of 2-(2-oxo-1,3-benzoxazol-3-yl)-N-[[4-(piperidine-1-carbonyl)phenyl]methyl]acetamide?
2-(2-oxo-1,3-benzoxazol-3-yl)-N-[[4-(piperidine-1-carbonyl)phenyl]methyl]acetamide has a molecular weight of 393.44 g/mol, XLogP of 2.54, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-oxo-1,3-benzoxazol-3-yl)-N-[[4-(piperidine-1-carbonyl)phenyl]methyl]acetamide is sourced from PubChem (CID 131927904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).