5-ethyl-N-[2-(4-methylphenyl)-2-(4-methylpiperidin-1-yl)ethyl]-1,2-oxazole-3-carboxamide

C21H29N3O2 — CID 74233622

IUPAC5-ethyl-N-[2-(4-methylphenyl)-2-(4-methylpiperidin-1-yl)ethyl]-1,2-oxazole-3-carboxamide
SMILESCCc1cc(C(=O)NCC(c2ccc(C)cc2)N2CCC(C)CC2)no1
InChIInChI=1S/C21H29N3O2/c1-4-18-13-19(23-26-18)21(25)22-14-20(17-7-5-15(2)6-8-17)24-11-9-16(3)10-12-24/h5-8,13,16,20H,4,9-12,14H2,1-3H3,(H,22,25)
InChIKeyAMXBYRRDTLMGJZ-UHFFFAOYSA-N
MW355.48 g/mol
LogP3.75
Rot. Bonds6

About 5-ethyl-N-[2-(4-methylphenyl)-2-(4-methylpiperidin-1-yl)ethyl]-1,2-oxazole-3-carboxamide

5-ethyl-N-[2-(4-methylphenyl)-2-(4-methylpiperidin-1-yl)ethyl]-1,2-oxazole-3-carboxamide (PubChem CID 74233622) has the molecular formula C21H29N3O2 and a molecular weight of 355.48 g/mol. Its IUPAC name is 5-ethyl-N-[2-(4-methylphenyl)-2-(4-methylpiperidin-1-yl)ethyl]-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-ethyl-N-[2-(4-methylphenyl)-2-(4-methylpiperidin-1-yl)ethyl]-1,2-oxazole-3-carboxamide
PubChem CID74233622
Molecular FormulaC21H29N3O2
Molecular Weight355.48 g/mol
Exact Mass355.23
IUPAC Name5-ethyl-N-[2-(4-methylphenyl)-2-(4-methylpiperidin-1-yl)ethyl]-1,2-oxazole-3-carboxamide
SMILESCCc1cc(C(=O)NCC(c2ccc(C)cc2)N2CCC(C)CC2)no1
InChIInChI=1S/C21H29N3O2/c1-4-18-13-19(23-26-18)21(25)22-14-20(17-7-5-15(2)6-8-17)24-11-9-16(3)10-12-24/h5-8,13,16,20H,4,9-12,14H2,1-3H3,(H,22,25)
InChIKeyAMXBYRRDTLMGJZ-UHFFFAOYSA-N
XLogP3.75
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.48
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(4-chlorophenyl)-N-[2-(4-methylpiperidin-1-yl)-2-phenylethyl]-1,2-oxazole-3-carboxamide
CID 17016180
N-[(2R)-2-(4-methoxyphenyl)-2-(4-methylpiperidin-1-yl)ethyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 42272190
5-(1,5-dimethylpyrazol-4-yl)-N-[2-(4-methylpiperidin-1-yl)-2-phenylethyl]-1,2-oxazole-3-carboxamide
CID 46957710
5-(3,4-dimethylphenyl)-N-[(2R)-2-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]-1,2-oxazole-3-carboxamide
CID 39867354
N-[2-(4-chlorophenyl)-2-piperidin-1-ylethyl]-5-(4-methylphenyl)-1,2-oxazole-3-carboxamide
CID 43843501
5-(4-methoxyphenyl)-N-[2-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]-1,2-oxazole-3-carboxamide
CID 45133034
N-[2-(azepan-1-yl)-2-(4-methylphenyl)ethyl]-5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,2-oxazole-3-carboxamide
CID 45132925
3-methyl-N-[2-(4-methylpiperidin-1-yl)-2-phenylethyl]benzamide
CID 112504560
5-(4-bromophenyl)-N-[(2R)-2-(5-methylfuran-2-yl)-2-(4-methylpiperidin-1-yl)ethyl]-1,2-oxazole-3-carboxamide
CID 26835251
5-(4-methoxyphenyl)-N-[2-(5-methylfuran-2-yl)-2-(4-methylpiperidin-1-yl)ethyl]-1,2-oxazole-3-carboxamide
CID 45155419
5-cyclopropyl-N-[2-(4-methylpiperidin-1-yl)-2-phenylethyl]-1H-pyrazole-3-carboxamide
CID 60552154
N-[(2S)-2-(4-fluorophenyl)-2-(4-methylpiperazin-1-yl)ethyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 51895795

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-N-[2-(4-methylphenyl)-2-(4-methylpiperidin-1-yl)ethyl]-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-ethyl-N-[2-(4-methylphenyl)-2-(4-methylpiperidin-1-yl)ethyl]-1,2-oxazole-3-carboxamide (CID 74233622) is 5-ethyl-N-[2-(4-methylphenyl)-2-(4-methylpiperidin-1-yl)ethyl]-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-ethyl-N-[2-(4-methylphenyl)-2-(4-methylpiperidin-1-yl)ethyl]-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-ethyl-N-[2-(4-methylphenyl)-2-(4-methylpiperidin-1-yl)ethyl]-1,2-oxazole-3-carboxamide is CCc1cc(C(=O)NCC(c2ccc(C)cc2)N2CCC(C)CC2)no1.
What is the InChIKey of 5-ethyl-N-[2-(4-methylphenyl)-2-(4-methylpiperidin-1-yl)ethyl]-1,2-oxazole-3-carboxamide?
The InChIKey is AMXBYRRDTLMGJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N3O2/c1-4-18-13-19(23-26-18)21(25)22-14-20(17-7-5-15(2)6-8-17)24-11-9-16(3)10-12-24/h5-8,13,16,20H,4,9-12,14H2,1-3H3,(H,22,25).
What are the key properties of 5-ethyl-N-[2-(4-methylphenyl)-2-(4-methylpiperidin-1-yl)ethyl]-1,2-oxazole-3-carboxamide?
5-ethyl-N-[2-(4-methylphenyl)-2-(4-methylpiperidin-1-yl)ethyl]-1,2-oxazole-3-carboxamide has a molecular weight of 355.48 g/mol, XLogP of 3.75, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-N-[2-(4-methylphenyl)-2-(4-methylpiperidin-1-yl)ethyl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 74233622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).