2,5-dimethyl-N-(4-piperidin-1-ylphenyl)-1,3-oxazole-4-carboxamide

C17H21N3O2 — CID 126814286

IUPAC2,5-dimethyl-N-(4-piperidin-1-ylphenyl)-1,3-oxazole-4-carboxamide
SMILESCc1nc(C(=O)Nc2ccc(N3CCCCC3)cc2)c(C)o1
InChIInChI=1S/C17H21N3O2/c1-12-16(18-13(2)22-12)17(21)19-14-6-8-15(9-7-14)20-10-4-3-5-11-20/h6-9H,3-5,10-11H2,1-2H3,(H,19,21)
InChIKeyOGKQTONSCLXPQP-UHFFFAOYSA-N
MW299.37 g/mol
LogP3.53
Rot. Bonds3

About 2,5-dimethyl-N-(4-piperidin-1-ylphenyl)-1,3-oxazole-4-carboxamide

2,5-dimethyl-N-(4-piperidin-1-ylphenyl)-1,3-oxazole-4-carboxamide (PubChem CID 126814286) has the molecular formula C17H21N3O2 and a molecular weight of 299.37 g/mol. Its IUPAC name is 2,5-dimethyl-N-(4-piperidin-1-ylphenyl)-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name2,5-dimethyl-N-(4-piperidin-1-ylphenyl)-1,3-oxazole-4-carboxamide
PubChem CID126814286
Molecular FormulaC17H21N3O2
Molecular Weight299.37 g/mol
Exact Mass299.16
IUPAC Name2,5-dimethyl-N-(4-piperidin-1-ylphenyl)-1,3-oxazole-4-carboxamide
SMILESCc1nc(C(=O)Nc2ccc(N3CCCCC3)cc2)c(C)o1
InChIInChI=1S/C17H21N3O2/c1-12-16(18-13(2)22-12)17(21)19-14-6-8-15(9-7-14)20-10-4-3-5-11-20/h6-9H,3-5,10-11H2,1-2H3,(H,19,21)
InChIKeyOGKQTONSCLXPQP-UHFFFAOYSA-N
XLogP3.53
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 53.53
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

5-methyl-2-phenyl-N-(4-piperidin-1-ylphenyl)-1,3-oxazole-4-carboxamide
CID 26289707
5-methyl-N-(4-piperidin-1-ylphenyl)-1,3-oxazole-2-carboxamide
CID 84577750
3-methyl-N-(4-pyrrolidin-1-ylphenyl)quinoxaline-2-carboxamide
CID 110862119
3,5-dimethyl-N-(4-piperidin-1-ylphenyl)-1,2-oxazole-4-carboxamide
CID 7999169
N-[4-(azepan-1-yl)phenyl]-5-methylpyrazine-2-carboxamide
CID 51197527
2,5-dimethyl-N-(4-pyrrolidin-1-ylphenyl)furan-3-carboxamide
CID 110862042
N-[4-(azepan-1-yl)phenyl]-2-methylpyrimidine-4-carboxamide
CID 55856932
N-(4-methylphenyl)-5-piperidin-1-ylpyridine-2-carboxamide
CID 109182799
6-methyl-N-(4-pyrrolidin-1-ylphenyl)pyridine-2-carboxamide
CID 38697211
1-N-(4-methylphenyl)-4-N-(4-pyrrolidin-1-ylphenyl)benzene-1,4-dicarboxamide
CID 109049443
(4-pyrrolidin-1-ylphenyl)carbamic acid
CID 91209465
4-methyl-N-(4-pyrrolidin-1-ylphenyl)-1,3-thiazole-5-carboxamide
CID 47035824

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-N-(4-piperidin-1-ylphenyl)-1,3-oxazole-4-carboxamide?
The IUPAC name of 2,5-dimethyl-N-(4-piperidin-1-ylphenyl)-1,3-oxazole-4-carboxamide (CID 126814286) is 2,5-dimethyl-N-(4-piperidin-1-ylphenyl)-1,3-oxazole-4-carboxamide.
What is the SMILES notation for 2,5-dimethyl-N-(4-piperidin-1-ylphenyl)-1,3-oxazole-4-carboxamide?
The canonical SMILES for 2,5-dimethyl-N-(4-piperidin-1-ylphenyl)-1,3-oxazole-4-carboxamide is Cc1nc(C(=O)Nc2ccc(N3CCCCC3)cc2)c(C)o1.
What is the InChIKey of 2,5-dimethyl-N-(4-piperidin-1-ylphenyl)-1,3-oxazole-4-carboxamide?
The InChIKey is OGKQTONSCLXPQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O2/c1-12-16(18-13(2)22-12)17(21)19-14-6-8-15(9-7-14)20-10-4-3-5-11-20/h6-9H,3-5,10-11H2,1-2H3,(H,19,21).
What are the key properties of 2,5-dimethyl-N-(4-piperidin-1-ylphenyl)-1,3-oxazole-4-carboxamide?
2,5-dimethyl-N-(4-piperidin-1-ylphenyl)-1,3-oxazole-4-carboxamide has a molecular weight of 299.37 g/mol, XLogP of 3.53, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-N-(4-piperidin-1-ylphenyl)-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 126814286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).