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

C20H25N3O2 — CID 119041845

IUPAC5-cyclopropyl-N-[1-(1-phenylethyl)piperidin-4-yl]-1,2-oxazole-3-carboxamide
SMILESCC(c1ccccc1)N1CCC(NC(=O)c2cc(C3CC3)on2)CC1
InChIInChI=1S/C20H25N3O2/c1-14(15-5-3-2-4-6-15)23-11-9-17(10-12-23)21-20(24)18-13-19(25-22-18)16-7-8-16/h2-6,13-14,16-17H,7-12H2,1H3,(H,21,24)
InChIKeyGBLJLXSGVZCWFG-UHFFFAOYSA-N
MW339.44 g/mol
LogP3.51
Rot. Bonds5

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

5-cyclopropyl-N-[1-(1-phenylethyl)piperidin-4-yl]-1,2-oxazole-3-carboxamide (PubChem CID 119041845) has the molecular formula C20H25N3O2 and a molecular weight of 339.44 g/mol. Its IUPAC name is 5-cyclopropyl-N-[1-(1-phenylethyl)piperidin-4-yl]-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-cyclopropyl-N-[1-(1-phenylethyl)piperidin-4-yl]-1,2-oxazole-3-carboxamide
PubChem CID119041845
Molecular FormulaC20H25N3O2
Molecular Weight339.44 g/mol
Exact Mass339.19
IUPAC Name5-cyclopropyl-N-[1-(1-phenylethyl)piperidin-4-yl]-1,2-oxazole-3-carboxamide
SMILESCC(c1ccccc1)N1CCC(NC(=O)c2cc(C3CC3)on2)CC1
InChIInChI=1S/C20H25N3O2/c1-14(15-5-3-2-4-6-15)23-11-9-17(10-12-23)21-20(24)18-13-19(25-22-18)16-7-8-16/h2-6,13-14,16-17H,7-12H2,1H3,(H,21,24)
InChIKeyGBLJLXSGVZCWFG-UHFFFAOYSA-N
XLogP3.51
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-cyclopropyl-N-[1-(2-hydroxy-1-phenylethyl)azetidin-3-yl]-1,2-oxazole-3-carboxamide
CID 129314817
N-(1-benzylsulfonylpiperidin-4-yl)-5-cyclopropyl-1,2-oxazole-3-carboxamide
CID 122140778
N-[(3S)-1-[(1S)-1-phenylethyl]pyrrolidin-3-yl]pyridine-2-carboxamide
CID 94536296
N-[1-[(1R)-2-amino-2-oxo-1-phenylethyl]piperidin-4-yl]-5-methyl-1,2-oxazole-3-carboxamide
CID 95583405
5-cyclopropyl-N-[1-(2-hydroxy-1-phenylethyl)-4-methylpyrrolidin-3-yl]-1,2-oxazole-3-carboxamide
CID 130386779
5-cyclopropyl-N-[(3S,4S)-4-methyl-1-(1-phenylpropyl)pyrrolidin-3-yl]-1,2-oxazole-3-carboxamide
CID 130386614
N-[1-(2-aminoacetyl)piperidin-4-yl]-5-cyclopropyl-1,2-oxazole-3-carboxamide
CID 168509992
5-cyclopropyl-N-[1-[(1S,2S)-2-hydroxycyclohexyl]piperidin-4-yl]-1,2-oxazole-3-carboxamide
CID 124612300
N-[1-(2-aminoacetyl)piperidin-4-yl]-5-cyclopropyl-1,2-oxazole-3-carboxamide;hydrochloride
CID 171338035
3-amino-2-methyl-N-[1-(1-phenylethyl)piperidin-4-yl]butanamide
CID 120503779
5-cyclopropyl-N-[1-(piperidine-3-carbonyl)piperidin-4-yl]-1,2-oxazole-3-carboxamide
CID 145040372
5-cyclopropyl-N-[1-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)piperidin-4-yl]-1,2-oxazole-3-carboxamide
CID 154831088

Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-N-[1-(1-phenylethyl)piperidin-4-yl]-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-cyclopropyl-N-[1-(1-phenylethyl)piperidin-4-yl]-1,2-oxazole-3-carboxamide (CID 119041845) is 5-cyclopropyl-N-[1-(1-phenylethyl)piperidin-4-yl]-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-cyclopropyl-N-[1-(1-phenylethyl)piperidin-4-yl]-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-cyclopropyl-N-[1-(1-phenylethyl)piperidin-4-yl]-1,2-oxazole-3-carboxamide is CC(c1ccccc1)N1CCC(NC(=O)c2cc(C3CC3)on2)CC1.
What is the InChIKey of 5-cyclopropyl-N-[1-(1-phenylethyl)piperidin-4-yl]-1,2-oxazole-3-carboxamide?
The InChIKey is GBLJLXSGVZCWFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O2/c1-14(15-5-3-2-4-6-15)23-11-9-17(10-12-23)21-20(24)18-13-19(25-22-18)16-7-8-16/h2-6,13-14,16-17H,7-12H2,1H3,(H,21,24).
What are the key properties of 5-cyclopropyl-N-[1-(1-phenylethyl)piperidin-4-yl]-1,2-oxazole-3-carboxamide?
5-cyclopropyl-N-[1-(1-phenylethyl)piperidin-4-yl]-1,2-oxazole-3-carboxamide has a molecular weight of 339.44 g/mol, XLogP of 3.51, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-N-[1-(1-phenylethyl)piperidin-4-yl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 119041845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).