N-[1-(2-phenylethyl)piperidin-4-yl]-5-propan-2-yl-1,2-oxazole-3-carboxamide

C20H27N3O2 — CID 119043011

IUPACN-[1-(2-phenylethyl)piperidin-4-yl]-5-propan-2-yl-1,2-oxazole-3-carboxamide
SMILESCC(C)c1cc(C(=O)NC2CCN(CCc3ccccc3)CC2)no1
InChIInChI=1S/C20H27N3O2/c1-15(2)19-14-18(22-25-19)20(24)21-17-9-12-23(13-10-17)11-8-16-6-4-3-5-7-16/h3-7,14-15,17H,8-13H2,1-2H3,(H,21,24)
InChIKeyNTPCBBQHIXQEGV-UHFFFAOYSA-N
MW341.46 g/mol
LogP3.23
Rot. Bonds6

About N-[1-(2-phenylethyl)piperidin-4-yl]-5-propan-2-yl-1,2-oxazole-3-carboxamide

N-[1-(2-phenylethyl)piperidin-4-yl]-5-propan-2-yl-1,2-oxazole-3-carboxamide (PubChem CID 119043011) has the molecular formula C20H27N3O2 and a molecular weight of 341.46 g/mol. Its IUPAC name is N-[1-(2-phenylethyl)piperidin-4-yl]-5-propan-2-yl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[1-(2-phenylethyl)piperidin-4-yl]-5-propan-2-yl-1,2-oxazole-3-carboxamide
PubChem CID119043011
Molecular FormulaC20H27N3O2
Molecular Weight341.46 g/mol
Exact Mass341.21
IUPAC NameN-[1-(2-phenylethyl)piperidin-4-yl]-5-propan-2-yl-1,2-oxazole-3-carboxamide
SMILESCC(C)c1cc(C(=O)NC2CCN(CCc3ccccc3)CC2)no1
InChIInChI=1S/C20H27N3O2/c1-15(2)19-14-18(22-25-19)20(24)21-17-9-12-23(13-10-17)11-8-16-6-4-3-5-7-16/h3-7,14-15,17H,8-13H2,1-2H3,(H,21,24)
InChIKeyNTPCBBQHIXQEGV-UHFFFAOYSA-N
XLogP3.23
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.46
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[1-(2-phenylethyl)piperidin-4-yl]-5-propan-2-yl-1,2-oxazole-3-carboxamide with MolForge

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Related Compounds

5-propan-2-yl-N-[1-(2-pyridin-4-ylethyl)piperidin-4-yl]-1,2-oxazole-3-carboxamide
CID 119043018
N-[1-[(2-methylphenyl)methyl]piperidin-4-yl]-5-propan-2-yl-1,2-oxazole-3-carboxamide
CID 119043015
1-methyl-N-[1-(2-phenylethyl)piperidin-4-yl]imidazole-4-carboxamide
CID 118776458
2,5-dimethyl-N-[1-(2-phenylethyl)piperidin-4-yl]pyrazole-3-carboxamide
CID 175649732
5-propan-2-yl-N-[1-(thiophen-2-ylmethyl)piperidin-4-yl]-1,2-oxazole-3-carboxamide
CID 102602829
3-[(1-propylpiperidin-4-yl)carbamoyl]-1,2-oxazole-5-carboxylic acid
CID 107369393
N-[(3S)-1-benzylpyrrolidin-3-yl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 95145261
N-[1-(2-phenylethyl)piperidin-4-yl]-1-propan-2-ylindazole-3-carboxamide
CID 10834269
2-[[1-(2-phenylethyl)piperidin-4-yl]amino]propanoic acid
CID 61499758
5-[(4-benzylpiperidin-1-yl)methyl]-N-cyclopropyl-1,2-oxazole-3-carboxamide
CID 25448460
oxalic acid;bis(N-[1-(2-phenylethyl)piperidin-4-yl]propanamide)
CID 146470915
oxalic acid;N-[1-(2-phenylethyl)piperidin-4-yl]propanamide
CID 118877840

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-phenylethyl)piperidin-4-yl]-5-propan-2-yl-1,2-oxazole-3-carboxamide?
The IUPAC name of N-[1-(2-phenylethyl)piperidin-4-yl]-5-propan-2-yl-1,2-oxazole-3-carboxamide (CID 119043011) is N-[1-(2-phenylethyl)piperidin-4-yl]-5-propan-2-yl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-[1-(2-phenylethyl)piperidin-4-yl]-5-propan-2-yl-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[1-(2-phenylethyl)piperidin-4-yl]-5-propan-2-yl-1,2-oxazole-3-carboxamide is CC(C)c1cc(C(=O)NC2CCN(CCc3ccccc3)CC2)no1.
What is the InChIKey of N-[1-(2-phenylethyl)piperidin-4-yl]-5-propan-2-yl-1,2-oxazole-3-carboxamide?
The InChIKey is NTPCBBQHIXQEGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O2/c1-15(2)19-14-18(22-25-19)20(24)21-17-9-12-23(13-10-17)11-8-16-6-4-3-5-7-16/h3-7,14-15,17H,8-13H2,1-2H3,(H,21,24).
What are the key properties of N-[1-(2-phenylethyl)piperidin-4-yl]-5-propan-2-yl-1,2-oxazole-3-carboxamide?
N-[1-(2-phenylethyl)piperidin-4-yl]-5-propan-2-yl-1,2-oxazole-3-carboxamide has a molecular weight of 341.46 g/mol, XLogP of 3.23, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-phenylethyl)piperidin-4-yl]-5-propan-2-yl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 119043011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).