2,4-dimethyl-N-[[4-(piperidine-1-carbonyl)phenyl]methyl]-1,3-oxazole-5-carboxamide

C19H23N3O3 — CID 118789869

IUPAC2,4-dimethyl-N-[[4-(piperidine-1-carbonyl)phenyl]methyl]-1,3-oxazole-5-carboxamide
SMILESCc1nc(C)c(C(=O)NCc2ccc(C(=O)N3CCCCC3)cc2)o1
InChIInChI=1S/C19H23N3O3/c1-13-17(25-14(2)21-13)18(23)20-12-15-6-8-16(9-7-15)19(24)22-10-4-3-5-11-22/h6-9H,3-5,10-12H2,1-2H3,(H,20,23)
InChIKeyKGFLYGLUSLKYCA-UHFFFAOYSA-N
MW341.41 g/mol
LogP2.85
Rot. Bonds4

About 2,4-dimethyl-N-[[4-(piperidine-1-carbonyl)phenyl]methyl]-1,3-oxazole-5-carboxamide

2,4-dimethyl-N-[[4-(piperidine-1-carbonyl)phenyl]methyl]-1,3-oxazole-5-carboxamide (PubChem CID 118789869) has the molecular formula C19H23N3O3 and a molecular weight of 341.41 g/mol. Its IUPAC name is 2,4-dimethyl-N-[[4-(piperidine-1-carbonyl)phenyl]methyl]-1,3-oxazole-5-carboxamide.

Molecular Properties

Compound Name2,4-dimethyl-N-[[4-(piperidine-1-carbonyl)phenyl]methyl]-1,3-oxazole-5-carboxamide
PubChem CID118789869
Molecular FormulaC19H23N3O3
Molecular Weight341.41 g/mol
Exact Mass341.17
IUPAC Name2,4-dimethyl-N-[[4-(piperidine-1-carbonyl)phenyl]methyl]-1,3-oxazole-5-carboxamide
SMILESCc1nc(C)c(C(=O)NCc2ccc(C(=O)N3CCCCC3)cc2)o1
InChIInChI=1S/C19H23N3O3/c1-13-17(25-14(2)21-13)18(23)20-12-15-6-8-16(9-7-15)19(24)22-10-4-3-5-11-22/h6-9H,3-5,10-12H2,1-2H3,(H,20,23)
InChIKeyKGFLYGLUSLKYCA-UHFFFAOYSA-N
XLogP2.85
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[4-(hydroxymethyl)phenyl]methyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide
CID 107231345
2-chloro-N-[[4-(piperidine-1-carbonyl)phenyl]methyl]furan-3-carboxamide
CID 136536492
[4-(piperidine-1-carbonyl)phenyl]methylurea
CID 51073375
N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]furan-3-carboxamide
CID 18153751
5-methyl-N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]thiophene-2-carboxamide
CID 43043492
5-ethoxy-3-methyl-N-[[4-(piperidine-1-carbonyl)phenyl]methyl]-1-benzofuran-2-carboxamide
CID 26976942
6-methyl-2-oxo-N-[[4-(piperidine-1-carbonyl)phenyl]methyl]-1H-pyridine-3-carboxamide
CID 78895539
2-methyl-6-oxo-N-[[4-(piperidine-1-carbonyl)phenyl]methyl]-1H-pyrimidine-5-carboxamide
CID 91780687
N-[(4-methylphenyl)methyl]-5-(piperidine-1-carbonyl)pyridine-3-carboxamide
CID 109102850
6-ethoxy-N-[[4-(piperidine-1-carbonyl)phenyl]methyl]pyridine-3-carboxamide
CID 47047914
N-(3,4-dihydro-2H-chromen-6-ylmethyl)-2,4-dimethyl-1,3-oxazole-5-carboxamide
CID 122563750
2-methylsulfanyl-N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]-1,3-thiazole-4-carboxamide
CID 118770644

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-N-[[4-(piperidine-1-carbonyl)phenyl]methyl]-1,3-oxazole-5-carboxamide?
The IUPAC name of 2,4-dimethyl-N-[[4-(piperidine-1-carbonyl)phenyl]methyl]-1,3-oxazole-5-carboxamide (CID 118789869) is 2,4-dimethyl-N-[[4-(piperidine-1-carbonyl)phenyl]methyl]-1,3-oxazole-5-carboxamide.
What is the SMILES notation for 2,4-dimethyl-N-[[4-(piperidine-1-carbonyl)phenyl]methyl]-1,3-oxazole-5-carboxamide?
The canonical SMILES for 2,4-dimethyl-N-[[4-(piperidine-1-carbonyl)phenyl]methyl]-1,3-oxazole-5-carboxamide is Cc1nc(C)c(C(=O)NCc2ccc(C(=O)N3CCCCC3)cc2)o1.
What is the InChIKey of 2,4-dimethyl-N-[[4-(piperidine-1-carbonyl)phenyl]methyl]-1,3-oxazole-5-carboxamide?
The InChIKey is KGFLYGLUSLKYCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O3/c1-13-17(25-14(2)21-13)18(23)20-12-15-6-8-16(9-7-15)19(24)22-10-4-3-5-11-22/h6-9H,3-5,10-12H2,1-2H3,(H,20,23).
What are the key properties of 2,4-dimethyl-N-[[4-(piperidine-1-carbonyl)phenyl]methyl]-1,3-oxazole-5-carboxamide?
2,4-dimethyl-N-[[4-(piperidine-1-carbonyl)phenyl]methyl]-1,3-oxazole-5-carboxamide has a molecular weight of 341.41 g/mol, XLogP of 2.85, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-N-[[4-(piperidine-1-carbonyl)phenyl]methyl]-1,3-oxazole-5-carboxamide is sourced from PubChem (CID 118789869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).