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

C16H19N3O2 — CID 84577750

IUPAC5-methyl-N-(4-piperidin-1-ylphenyl)-1,3-oxazole-2-carboxamide
SMILESCc1cnc(C(=O)Nc2ccc(N3CCCCC3)cc2)o1
InChIInChI=1S/C16H19N3O2/c1-12-11-17-16(21-12)15(20)18-13-5-7-14(8-6-13)19-9-3-2-4-10-19/h5-8,11H,2-4,9-10H2,1H3,(H,18,20)
InChIKeyAFPJNLFZTAQZOW-UHFFFAOYSA-N
MW285.35 g/mol
LogP3.23
Rot. Bonds3

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

5-methyl-N-(4-piperidin-1-ylphenyl)-1,3-oxazole-2-carboxamide (PubChem CID 84577750) has the molecular formula C16H19N3O2 and a molecular weight of 285.35 g/mol. Its IUPAC name is 5-methyl-N-(4-piperidin-1-ylphenyl)-1,3-oxazole-2-carboxamide.

Molecular Properties

Compound Name5-methyl-N-(4-piperidin-1-ylphenyl)-1,3-oxazole-2-carboxamide
PubChem CID84577750
Molecular FormulaC16H19N3O2
Molecular Weight285.35 g/mol
Exact Mass285.15
IUPAC Name5-methyl-N-(4-piperidin-1-ylphenyl)-1,3-oxazole-2-carboxamide
SMILESCc1cnc(C(=O)Nc2ccc(N3CCCCC3)cc2)o1
InChIInChI=1S/C16H19N3O2/c1-12-11-17-16(21-12)15(20)18-13-5-7-14(8-6-13)19-9-3-2-4-10-19/h5-8,11H,2-4,9-10H2,1H3,(H,18,20)
InChIKeyAFPJNLFZTAQZOW-UHFFFAOYSA-N
XLogP3.23
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 53.23
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-methylphenyl)-5-piperidin-1-ylpyridine-2-carboxamide
CID 109182799
N-[4-(azepan-1-yl)phenyl]-5-methylpyrazine-2-carboxamide
CID 51197527
5-[(5-methyl-1,2-oxazol-3-yl)amino]-N-(4-piperidin-1-ylphenyl)pyridine-2-carboxamide
CID 109200617
2,5-dimethyl-N-(4-piperidin-1-ylphenyl)-1,3-oxazole-4-carboxamide
CID 126814286
5-(azepan-1-yl)-N-(4-bromophenyl)pyridine-2-carboxamide
CID 109196891
2,5-dimethyl-N-(4-pyrrolidin-1-ylphenyl)furan-3-carboxamide
CID 110862042
5-(azepan-1-yl)-N-(4-methoxyphenyl)pyridine-2-carboxamide
CID 109196895
3,5-dimethyl-N-(4-piperidin-1-ylphenyl)-1,2-oxazole-4-carboxamide
CID 7999169
N-(4-tert-butylphenyl)-5-piperidin-1-ylpyridine-2-carboxamide
CID 109182819
N-[4-(azepan-1-yl)phenyl]-2-methylpyrimidine-4-carboxamide
CID 55856932
5-(azepan-1-yl)-N-(4-ethoxyphenyl)pyridine-2-carboxamide
CID 109196897
6-methyl-N-(4-pyrrolidin-1-ylphenyl)pyridine-2-carboxamide
CID 38697211

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-(4-piperidin-1-ylphenyl)-1,3-oxazole-2-carboxamide?
The IUPAC name of 5-methyl-N-(4-piperidin-1-ylphenyl)-1,3-oxazole-2-carboxamide (CID 84577750) is 5-methyl-N-(4-piperidin-1-ylphenyl)-1,3-oxazole-2-carboxamide.
What is the SMILES notation for 5-methyl-N-(4-piperidin-1-ylphenyl)-1,3-oxazole-2-carboxamide?
The canonical SMILES for 5-methyl-N-(4-piperidin-1-ylphenyl)-1,3-oxazole-2-carboxamide is Cc1cnc(C(=O)Nc2ccc(N3CCCCC3)cc2)o1.
What is the InChIKey of 5-methyl-N-(4-piperidin-1-ylphenyl)-1,3-oxazole-2-carboxamide?
The InChIKey is AFPJNLFZTAQZOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2/c1-12-11-17-16(21-12)15(20)18-13-5-7-14(8-6-13)19-9-3-2-4-10-19/h5-8,11H,2-4,9-10H2,1H3,(H,18,20).
What are the key properties of 5-methyl-N-(4-piperidin-1-ylphenyl)-1,3-oxazole-2-carboxamide?
5-methyl-N-(4-piperidin-1-ylphenyl)-1,3-oxazole-2-carboxamide has a molecular weight of 285.35 g/mol, XLogP of 3.23, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-(4-piperidin-1-ylphenyl)-1,3-oxazole-2-carboxamide is sourced from PubChem (CID 84577750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).