N-(1-phenylethyl)-2-piperidin-4-yl-1,3-oxazole-4-carboxamide

C17H21N3O2 — CID 3868751

IUPACN-(1-phenylethyl)-2-piperidin-4-yl-1,3-oxazole-4-carboxamide
SMILESCC(NC(=O)c1coc(C2CCNCC2)n1)c1ccccc1
InChIInChI=1S/C17H21N3O2/c1-12(13-5-3-2-4-6-13)19-16(21)15-11-22-17(20-15)14-7-9-18-10-8-14/h2-6,11-12,14,18H,7-10H2,1H3,(H,19,21)
InChIKeyCVZPSVQEMXHBFH-UHFFFAOYSA-N
MW299.37 g/mol
LogP2.63
Rot. Bonds4

About N-(1-phenylethyl)-2-piperidin-4-yl-1,3-oxazole-4-carboxamide

N-(1-phenylethyl)-2-piperidin-4-yl-1,3-oxazole-4-carboxamide (PubChem CID 3868751) has the molecular formula C17H21N3O2 and a molecular weight of 299.37 g/mol. Its IUPAC name is N-(1-phenylethyl)-2-piperidin-4-yl-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-(1-phenylethyl)-2-piperidin-4-yl-1,3-oxazole-4-carboxamide
PubChem CID3868751
Molecular FormulaC17H21N3O2
Molecular Weight299.37 g/mol
Exact Mass299.16
IUPAC NameN-(1-phenylethyl)-2-piperidin-4-yl-1,3-oxazole-4-carboxamide
SMILESCC(NC(=O)c1coc(C2CCNCC2)n1)c1ccccc1
InChIInChI=1S/C17H21N3O2/c1-12(13-5-3-2-4-6-13)19-16(21)15-11-22-17(20-15)14-7-9-18-10-8-14/h2-6,11-12,14,18H,7-10H2,1H3,(H,19,21)
InChIKeyCVZPSVQEMXHBFH-UHFFFAOYSA-N
XLogP2.63
TPSA67.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(4-fluorophenyl)ethyl]-2-piperidin-3-yl-1,3-oxazole-4-carboxamide
CID 3871368
N-heptan-2-yl-2-piperidin-4-yl-1,3-oxazole-4-carboxamide
CID 3785755
N-cyclopropyl-2-piperidin-4-yl-1,3-oxazole-4-carboxamide
CID 3864461
N-(4-methoxyphenyl)-2-piperidin-4-yl-1,3-oxazole-4-carboxamide
CID 3857041
2-piperidin-4-yl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,3-oxazole-4-carboxamide
CID 5176278
N-[(2S)-1-(benzylamino)-1-oxopropan-2-yl]-2-cyclopentyl-1,3-oxazole-4-carboxamide
CID 99785373
N-(1-phenylethyl)piperidine-4-carboxamide
CID 2903820
N-heptyl-2-piperidin-4-yl-1,3-oxazole-4-carboxamide
CID 3440445
N-dodecyl-2-piperidin-4-yl-1,3-oxazole-4-carboxamide
CID 3440443
2-piperidin-4-yl-N-[[2-(trifluoromethyl)phenyl]methyl]-1,3-oxazole-4-carboxamide
CID 3421131
N-(3,3-diphenylpropyl)-2-piperidin-3-yl-1,3-oxazole-4-carboxamide
CID 3846076
2-N-[(1S)-1-phenylethyl]-6-N-[(1R)-1-phenylethyl]pyridine-2,6-dicarboxamide
CID 139136791

Frequently Asked Questions

What is the IUPAC name of N-(1-phenylethyl)-2-piperidin-4-yl-1,3-oxazole-4-carboxamide?
The IUPAC name of N-(1-phenylethyl)-2-piperidin-4-yl-1,3-oxazole-4-carboxamide (CID 3868751) is N-(1-phenylethyl)-2-piperidin-4-yl-1,3-oxazole-4-carboxamide.
What is the SMILES notation for N-(1-phenylethyl)-2-piperidin-4-yl-1,3-oxazole-4-carboxamide?
The canonical SMILES for N-(1-phenylethyl)-2-piperidin-4-yl-1,3-oxazole-4-carboxamide is CC(NC(=O)c1coc(C2CCNCC2)n1)c1ccccc1.
What is the InChIKey of N-(1-phenylethyl)-2-piperidin-4-yl-1,3-oxazole-4-carboxamide?
The InChIKey is CVZPSVQEMXHBFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O2/c1-12(13-5-3-2-4-6-13)19-16(21)15-11-22-17(20-15)14-7-9-18-10-8-14/h2-6,11-12,14,18H,7-10H2,1H3,(H,19,21).
What are the key properties of N-(1-phenylethyl)-2-piperidin-4-yl-1,3-oxazole-4-carboxamide?
N-(1-phenylethyl)-2-piperidin-4-yl-1,3-oxazole-4-carboxamide has a molecular weight of 299.37 g/mol, XLogP of 2.63, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-phenylethyl)-2-piperidin-4-yl-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 3868751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).