N-[4-(4-methylpiperidin-1-yl)phenyl]-2-oxo-3H-1,3-benzoxazole-5-carboxamide

C20H21N3O3 — CID 110342164

IUPACN-[4-(4-methylpiperidin-1-yl)phenyl]-2-oxo-3H-1,3-benzoxazole-5-carboxamide
SMILESCC1CCN(c2ccc(NC(=O)c3ccc4oc(=O)[nH]c4c3)cc2)CC1
InChIInChI=1S/C20H21N3O3/c1-13-8-10-23(11-9-13)16-5-3-15(4-6-16)21-19(24)14-2-7-18-17(12-14)22-20(25)26-18/h2-7,12-13H,8-11H2,1H3,(H,21,24)(H,22,25)
InChIKeyFODYVPUVGFGCOE-UHFFFAOYSA-N
MW351.41 g/mol
LogP3.61
Rot. Bonds3

About N-[4-(4-methylpiperidin-1-yl)phenyl]-2-oxo-3H-1,3-benzoxazole-5-carboxamide

N-[4-(4-methylpiperidin-1-yl)phenyl]-2-oxo-3H-1,3-benzoxazole-5-carboxamide (PubChem CID 110342164) has the molecular formula C20H21N3O3 and a molecular weight of 351.41 g/mol. Its IUPAC name is N-[4-(4-methylpiperidin-1-yl)phenyl]-2-oxo-3H-1,3-benzoxazole-5-carboxamide.

Molecular Properties

Compound NameN-[4-(4-methylpiperidin-1-yl)phenyl]-2-oxo-3H-1,3-benzoxazole-5-carboxamide
PubChem CID110342164
Molecular FormulaC20H21N3O3
Molecular Weight351.41 g/mol
Exact Mass351.16
IUPAC NameN-[4-(4-methylpiperidin-1-yl)phenyl]-2-oxo-3H-1,3-benzoxazole-5-carboxamide
SMILESCC1CCN(c2ccc(NC(=O)c3ccc4oc(=O)[nH]c4c3)cc2)CC1
InChIInChI=1S/C20H21N3O3/c1-13-8-10-23(11-9-13)16-5-3-15(4-6-16)21-19(24)14-2-7-18-17(12-14)22-20(25)26-18/h2-7,12-13H,8-11H2,1H3,(H,21,24)(H,22,25)
InChIKeyFODYVPUVGFGCOE-UHFFFAOYSA-N
XLogP3.61
TPSA78.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

N-[4-(4-methylpiperidin-1-yl)phenyl]-1,3-benzoxazole-6-carboxamide
CID 110862309
4-benzamido-N-(2-oxo-3H-1,3-benzoxazol-5-yl)benzamide
CID 38468547
N-(2-oxo-3H-1,3-benzoxazol-5-yl)-4-pyrrol-1-ylbenzamide
CID 38467191
4-methyl-N-[4-(4-methylpiperidin-1-yl)phenyl]-3-nitrobenzamide
CID 21229734
N-[4-(4-methylpiperidin-1-yl)phenyl]-3-(2-oxochromen-3-yl)benzamide
CID 3645617
1-methyl-N-[4-(4-methylpiperidin-1-yl)phenyl]-2-oxo-3H-indole-5-carboxamide
CID 110383921
3-N-[4-(4-methylpiperidin-1-yl)phenyl]-1-N-propylbenzene-1,3-dicarboxamide
CID 109050431
3-N-butan-2-yl-1-N-[4-(4-methylpiperidin-1-yl)phenyl]benzene-1,3-dicarboxamide
CID 109051577
3-(4-methylpiperidine-1-carbonyl)-N-(4-pyrrolidin-1-ylphenyl)benzamide
CID 109052385
methyl 5-[[4-[4-[[4-(4-methylpiperidin-1-yl)benzoyl]amino]benzoyl]phenyl]carbamoyl]-1H-pyrrole-2-carboxylate
CID 163818211
N-[4-(4-methylpiperidin-1-yl)phenyl]thiophene-3-carboxamide
CID 9303445
N-[4-(4-methylpiperidin-1-yl)phenyl]-1H-pyrrole-2-carboxamide
CID 110691023

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-methylpiperidin-1-yl)phenyl]-2-oxo-3H-1,3-benzoxazole-5-carboxamide?
The IUPAC name of N-[4-(4-methylpiperidin-1-yl)phenyl]-2-oxo-3H-1,3-benzoxazole-5-carboxamide (CID 110342164) is N-[4-(4-methylpiperidin-1-yl)phenyl]-2-oxo-3H-1,3-benzoxazole-5-carboxamide.
What is the SMILES notation for N-[4-(4-methylpiperidin-1-yl)phenyl]-2-oxo-3H-1,3-benzoxazole-5-carboxamide?
The canonical SMILES for N-[4-(4-methylpiperidin-1-yl)phenyl]-2-oxo-3H-1,3-benzoxazole-5-carboxamide is CC1CCN(c2ccc(NC(=O)c3ccc4oc(=O)[nH]c4c3)cc2)CC1.
What is the InChIKey of N-[4-(4-methylpiperidin-1-yl)phenyl]-2-oxo-3H-1,3-benzoxazole-5-carboxamide?
The InChIKey is FODYVPUVGFGCOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O3/c1-13-8-10-23(11-9-13)16-5-3-15(4-6-16)21-19(24)14-2-7-18-17(12-14)22-20(25)26-18/h2-7,12-13H,8-11H2,1H3,(H,21,24)(H,22,25).
What are the key properties of N-[4-(4-methylpiperidin-1-yl)phenyl]-2-oxo-3H-1,3-benzoxazole-5-carboxamide?
N-[4-(4-methylpiperidin-1-yl)phenyl]-2-oxo-3H-1,3-benzoxazole-5-carboxamide has a molecular weight of 351.41 g/mol, XLogP of 3.61, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-methylpiperidin-1-yl)phenyl]-2-oxo-3H-1,3-benzoxazole-5-carboxamide is sourced from PubChem (CID 110342164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).