N-hydroxy-2-[4-(piperidin-1-ylmethyl)phenyl]-2,3-dihydro-1,3-benzoxazole-5-carboxamide

C20H23N3O3 — CID 166668499

IUPACN-hydroxy-2-[4-(piperidin-1-ylmethyl)phenyl]-2,3-dihydro-1,3-benzoxazole-5-carboxamide
SMILESO=C(NO)c1ccc2c(c1)NC(c1ccc(CN3CCCCC3)cc1)O2
InChIInChI=1S/C20H23N3O3/c24-19(22-25)16-8-9-18-17(12-16)21-20(26-18)15-6-4-14(5-7-15)13-23-10-2-1-3-11-23/h4-9,12,20-21,25H,1-3,10-11,13H2,(H,22,24)
InChIKeyNNXNVGTUUCLFKA-UHFFFAOYSA-N
MW353.42 g/mol
LogP3.29
Rot. Bonds4

About N-hydroxy-2-[4-(piperidin-1-ylmethyl)phenyl]-2,3-dihydro-1,3-benzoxazole-5-carboxamide

N-hydroxy-2-[4-(piperidin-1-ylmethyl)phenyl]-2,3-dihydro-1,3-benzoxazole-5-carboxamide (PubChem CID 166668499) has the molecular formula C20H23N3O3 and a molecular weight of 353.42 g/mol. Its IUPAC name is N-hydroxy-2-[4-(piperidin-1-ylmethyl)phenyl]-2,3-dihydro-1,3-benzoxazole-5-carboxamide.

Molecular Properties

Compound NameN-hydroxy-2-[4-(piperidin-1-ylmethyl)phenyl]-2,3-dihydro-1,3-benzoxazole-5-carboxamide
PubChem CID166668499
Molecular FormulaC20H23N3O3
Molecular Weight353.42 g/mol
Exact Mass353.17
IUPAC NameN-hydroxy-2-[4-(piperidin-1-ylmethyl)phenyl]-2,3-dihydro-1,3-benzoxazole-5-carboxamide
SMILESO=C(NO)c1ccc2c(c1)NC(c1ccc(CN3CCCCC3)cc1)O2
InChIInChI=1S/C20H23N3O3/c24-19(22-25)16-8-9-18-17(12-16)21-20(26-18)15-6-4-14(5-7-15)13-23-10-2-1-3-11-23/h4-9,12,20-21,25H,1-3,10-11,13H2,(H,22,24)
InChIKeyNNXNVGTUUCLFKA-UHFFFAOYSA-N
XLogP3.29
TPSA73.83 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.42
LogP ≤ 53.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(3,4-dimethylphenyl)-N-hydroxy-2,3-dihydro-1,3-benzoxazole-5-carboxamide
CID 166668531
4-[[3,5-dimethyl-4-[[3-(piperidin-1-ylmethyl)phenyl]methyl]piperazin-1-yl]methyl]-N-hydroxybenzamide
CID 135269674
N-cyclopropyl-4-(piperidin-1-ylmethyl)benzamide
CID 17407709
4-(piperidin-1-ylmethyl)-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]benzamide
CID 24654968
N-hydroxy-2-[6-[4-(2-methoxyphenyl)piperazin-1-yl]-3-pyridinyl]-2,3-dihydro-1,3-benzoxazole-5-carboxamide
CID 166668520
4-[[(3S,5R)-3,5-dimethyl-4-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]piperazin-1-yl]methyl]-N-hydroxybenzamide
CID 118367461
N-hydroxy-4-[(4-phenylpiperidin-1-yl)methyl]benzamide
CID 163366143
4-(azepan-1-ylmethyl)-N-(oxolan-2-ylmethyl)benzamide
CID 43921278
N-[[4-(hydroxymethyl)phenyl]methyl]-4-(piperidin-1-ylmethyl)benzamide
CID 131952254
N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]naphthalene-2-carboxamide
CID 9049744
N-[(3R)-1-methyl-6-oxopiperidin-3-yl]-4-(piperidin-1-ylmethyl)benzamide
CID 97196232
N-[[4-(azepan-1-ylmethyl)phenyl]methyl]-2-chloropyridine-4-carboxamide
CID 60602338

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-2-[4-(piperidin-1-ylmethyl)phenyl]-2,3-dihydro-1,3-benzoxazole-5-carboxamide?
The IUPAC name of N-hydroxy-2-[4-(piperidin-1-ylmethyl)phenyl]-2,3-dihydro-1,3-benzoxazole-5-carboxamide (CID 166668499) is N-hydroxy-2-[4-(piperidin-1-ylmethyl)phenyl]-2,3-dihydro-1,3-benzoxazole-5-carboxamide.
What is the SMILES notation for N-hydroxy-2-[4-(piperidin-1-ylmethyl)phenyl]-2,3-dihydro-1,3-benzoxazole-5-carboxamide?
The canonical SMILES for N-hydroxy-2-[4-(piperidin-1-ylmethyl)phenyl]-2,3-dihydro-1,3-benzoxazole-5-carboxamide is O=C(NO)c1ccc2c(c1)NC(c1ccc(CN3CCCCC3)cc1)O2.
What is the InChIKey of N-hydroxy-2-[4-(piperidin-1-ylmethyl)phenyl]-2,3-dihydro-1,3-benzoxazole-5-carboxamide?
The InChIKey is NNXNVGTUUCLFKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O3/c24-19(22-25)16-8-9-18-17(12-16)21-20(26-18)15-6-4-14(5-7-15)13-23-10-2-1-3-11-23/h4-9,12,20-21,25H,1-3,10-11,13H2,(H,22,24).
What are the key properties of N-hydroxy-2-[4-(piperidin-1-ylmethyl)phenyl]-2,3-dihydro-1,3-benzoxazole-5-carboxamide?
N-hydroxy-2-[4-(piperidin-1-ylmethyl)phenyl]-2,3-dihydro-1,3-benzoxazole-5-carboxamide has a molecular weight of 353.42 g/mol, XLogP of 3.29, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-2-[4-(piperidin-1-ylmethyl)phenyl]-2,3-dihydro-1,3-benzoxazole-5-carboxamide is sourced from PubChem (CID 166668499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).