N-[4-(4-methylpiperidin-1-yl)phenyl]-1,3-benzoxazole-6-carboxamide

C20H21N3O2 — CID 110862309

IUPACN-[4-(4-methylpiperidin-1-yl)phenyl]-1,3-benzoxazole-6-carboxamide
SMILESCC1CCN(c2ccc(NC(=O)c3ccc4ncoc4c3)cc2)CC1
InChIInChI=1S/C20H21N3O2/c1-14-8-10-23(11-9-14)17-5-3-16(4-6-17)22-20(24)15-2-7-18-19(12-15)25-13-21-18/h2-7,12-14H,8-11H2,1H3,(H,22,24)
InChIKeyCRORPJFRHUCUTL-UHFFFAOYSA-N
MW335.41 g/mol
LogP4.32
Rot. Bonds3

About N-[4-(4-methylpiperidin-1-yl)phenyl]-1,3-benzoxazole-6-carboxamide

N-[4-(4-methylpiperidin-1-yl)phenyl]-1,3-benzoxazole-6-carboxamide (PubChem CID 110862309) has the molecular formula C20H21N3O2 and a molecular weight of 335.41 g/mol. Its IUPAC name is N-[4-(4-methylpiperidin-1-yl)phenyl]-1,3-benzoxazole-6-carboxamide.

Molecular Properties

Compound NameN-[4-(4-methylpiperidin-1-yl)phenyl]-1,3-benzoxazole-6-carboxamide
PubChem CID110862309
Molecular FormulaC20H21N3O2
Molecular Weight335.41 g/mol
Exact Mass335.16
IUPAC NameN-[4-(4-methylpiperidin-1-yl)phenyl]-1,3-benzoxazole-6-carboxamide
SMILESCC1CCN(c2ccc(NC(=O)c3ccc4ncoc4c3)cc2)CC1
InChIInChI=1S/C20H21N3O2/c1-14-8-10-23(11-9-14)17-5-3-16(4-6-17)22-20(24)15-2-7-18-19(12-15)25-13-21-18/h2-7,12-14H,8-11H2,1H3,(H,22,24)
InChIKeyCRORPJFRHUCUTL-UHFFFAOYSA-N
XLogP4.32
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 54.32
H-Bond Donors ≤ 51
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-chlorophenyl)-1,3-benzoxazole-6-carboxamide
CID 110765115
N-[4-(4-methylpiperidin-1-yl)phenyl]-2-oxo-3H-1,3-benzoxazole-5-carboxamide
CID 110342164
3-N-[4-(4-methylpiperidin-1-yl)phenyl]-1-N-propylbenzene-1,3-dicarboxamide
CID 109050431
1-methyl-N-[4-(4-methylpiperidin-1-yl)phenyl]pyrazole-4-carboxamide
CID 9303499
3-N-butan-2-yl-1-N-[4-(4-methylpiperidin-1-yl)phenyl]benzene-1,3-dicarboxamide
CID 109051577
4-methyl-N-[4-(4-methylpiperidin-1-yl)phenyl]-3-nitrobenzamide
CID 21229734
N-[4-(4-methylpiperidin-1-yl)phenyl]-3-(2-methylpropoxy)benzamide
CID 21229720
N-[4-(3-methylpyrrolidin-1-yl)phenyl]-4-(phenylcarbamoylamino)benzamide
CID 56556326
4-ethoxy-N-[4-(3-methylpyrrolidin-1-yl)phenyl]benzamide
CID 56559078
N-[4-(4-methylpiperidin-1-yl)phenyl]-4-morpholin-4-ylpyridine-2-carboxamide
CID 109206689
N-[4-(4-methylpiperazin-1-yl)phenyl]-2-(4-methylpiperidin-1-yl)pyrimidine-5-carboxamide
CID 109250972
N-[4-(4-methylpiperidin-1-yl)phenyl]-4-pyrrolidin-1-ylsulfonylbenzamide
CID 9033710

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-methylpiperidin-1-yl)phenyl]-1,3-benzoxazole-6-carboxamide?
The IUPAC name of N-[4-(4-methylpiperidin-1-yl)phenyl]-1,3-benzoxazole-6-carboxamide (CID 110862309) is N-[4-(4-methylpiperidin-1-yl)phenyl]-1,3-benzoxazole-6-carboxamide.
What is the SMILES notation for N-[4-(4-methylpiperidin-1-yl)phenyl]-1,3-benzoxazole-6-carboxamide?
The canonical SMILES for N-[4-(4-methylpiperidin-1-yl)phenyl]-1,3-benzoxazole-6-carboxamide is CC1CCN(c2ccc(NC(=O)c3ccc4ncoc4c3)cc2)CC1.
What is the InChIKey of N-[4-(4-methylpiperidin-1-yl)phenyl]-1,3-benzoxazole-6-carboxamide?
The InChIKey is CRORPJFRHUCUTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O2/c1-14-8-10-23(11-9-14)17-5-3-16(4-6-17)22-20(24)15-2-7-18-19(12-15)25-13-21-18/h2-7,12-14H,8-11H2,1H3,(H,22,24).
What are the key properties of N-[4-(4-methylpiperidin-1-yl)phenyl]-1,3-benzoxazole-6-carboxamide?
N-[4-(4-methylpiperidin-1-yl)phenyl]-1,3-benzoxazole-6-carboxamide has a molecular weight of 335.41 g/mol, XLogP of 4.32, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-methylpiperidin-1-yl)phenyl]-1,3-benzoxazole-6-carboxamide is sourced from PubChem (CID 110862309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).