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

C23H23N3O3 — CID 2970746

IUPAC5-methyl-3-phenyl-N-[4-(piperidine-1-carbonyl)phenyl]-1,2-oxazole-4-carboxamide
SMILESCc1onc(-c2ccccc2)c1C(=O)Nc1ccc(C(=O)N2CCCCC2)cc1
InChIInChI=1S/C23H23N3O3/c1-16-20(21(25-29-16)17-8-4-2-5-9-17)22(27)24-19-12-10-18(11-13-19)23(28)26-14-6-3-7-15-26/h2,4-5,8-13H,3,6-7,14-15H2,1H3,(H,24,27)
InChIKeyVDQVSOGPSRYSRB-UHFFFAOYSA-N
MW389.46 g/mol
LogP4.53
Rot. Bonds4

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

5-methyl-3-phenyl-N-[4-(piperidine-1-carbonyl)phenyl]-1,2-oxazole-4-carboxamide (PubChem CID 2970746) has the molecular formula C23H23N3O3 and a molecular weight of 389.46 g/mol. Its IUPAC name is 5-methyl-3-phenyl-N-[4-(piperidine-1-carbonyl)phenyl]-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound Name5-methyl-3-phenyl-N-[4-(piperidine-1-carbonyl)phenyl]-1,2-oxazole-4-carboxamide
PubChem CID2970746
Molecular FormulaC23H23N3O3
Molecular Weight389.46 g/mol
Exact Mass389.17
IUPAC Name5-methyl-3-phenyl-N-[4-(piperidine-1-carbonyl)phenyl]-1,2-oxazole-4-carboxamide
SMILESCc1onc(-c2ccccc2)c1C(=O)Nc1ccc(C(=O)N2CCCCC2)cc1
InChIInChI=1S/C23H23N3O3/c1-16-20(21(25-29-16)17-8-4-2-5-9-17)22(27)24-19-12-10-18(11-13-19)23(28)26-14-6-3-7-15-26/h2,4-5,8-13H,3,6-7,14-15H2,1H3,(H,24,27)
InChIKeyVDQVSOGPSRYSRB-UHFFFAOYSA-N
XLogP4.53
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.46
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-phenyl-N-[4-(piperidine-1-carbonyl)phenyl]-1,2-oxazole-4-carboxamide?
The IUPAC name of 5-methyl-3-phenyl-N-[4-(piperidine-1-carbonyl)phenyl]-1,2-oxazole-4-carboxamide (CID 2970746) is 5-methyl-3-phenyl-N-[4-(piperidine-1-carbonyl)phenyl]-1,2-oxazole-4-carboxamide.
What is the SMILES notation for 5-methyl-3-phenyl-N-[4-(piperidine-1-carbonyl)phenyl]-1,2-oxazole-4-carboxamide?
The canonical SMILES for 5-methyl-3-phenyl-N-[4-(piperidine-1-carbonyl)phenyl]-1,2-oxazole-4-carboxamide is Cc1onc(-c2ccccc2)c1C(=O)Nc1ccc(C(=O)N2CCCCC2)cc1.
What is the InChIKey of 5-methyl-3-phenyl-N-[4-(piperidine-1-carbonyl)phenyl]-1,2-oxazole-4-carboxamide?
The InChIKey is VDQVSOGPSRYSRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O3/c1-16-20(21(25-29-16)17-8-4-2-5-9-17)22(27)24-19-12-10-18(11-13-19)23(28)26-14-6-3-7-15-26/h2,4-5,8-13H,3,6-7,14-15H2,1H3,(H,24,27).
What are the key properties of 5-methyl-3-phenyl-N-[4-(piperidine-1-carbonyl)phenyl]-1,2-oxazole-4-carboxamide?
5-methyl-3-phenyl-N-[4-(piperidine-1-carbonyl)phenyl]-1,2-oxazole-4-carboxamide has a molecular weight of 389.46 g/mol, XLogP of 4.53, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-phenyl-N-[4-(piperidine-1-carbonyl)phenyl]-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 2970746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).