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

C13H19N3O3 — CID 130188168

IUPAC5-cyclopropyl-N-[(4-hydroxypiperidin-4-yl)methyl]-1,2-oxazole-3-carboxamide
SMILESO=C(NCC1(O)CCNCC1)c1cc(C2CC2)on1
InChIInChI=1S/C13H19N3O3/c17-12(10-7-11(19-16-10)9-1-2-9)15-8-13(18)3-5-14-6-4-13/h7,9,14,18H,1-6,8H2,(H,15,17)
InChIKeyIZKLHZJGMIWHBZ-UHFFFAOYSA-N
MW265.31 g/mol
LogP0.40
Rot. Bonds4

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

5-cyclopropyl-N-[(4-hydroxypiperidin-4-yl)methyl]-1,2-oxazole-3-carboxamide (PubChem CID 130188168) has the molecular formula C13H19N3O3 and a molecular weight of 265.31 g/mol. Its IUPAC name is 5-cyclopropyl-N-[(4-hydroxypiperidin-4-yl)methyl]-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-cyclopropyl-N-[(4-hydroxypiperidin-4-yl)methyl]-1,2-oxazole-3-carboxamide
PubChem CID130188168
Molecular FormulaC13H19N3O3
Molecular Weight265.31 g/mol
Exact Mass265.14
IUPAC Name5-cyclopropyl-N-[(4-hydroxypiperidin-4-yl)methyl]-1,2-oxazole-3-carboxamide
SMILESO=C(NCC1(O)CCNCC1)c1cc(C2CC2)on1
InChIInChI=1S/C13H19N3O3/c17-12(10-7-11(19-16-10)9-1-2-9)15-8-13(18)3-5-14-6-4-13/h7,9,14,18H,1-6,8H2,(H,15,17)
InChIKeyIZKLHZJGMIWHBZ-UHFFFAOYSA-N
XLogP0.40
TPSA87.39 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 50.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

5-cyclopropyl-N-[(4R)-4-(hydroxymethyl)pyrrolidin-3-yl]-1,2-oxazole-3-carboxamide
CID 130395414
5-cyclopropyl-N-[(1-fluorocyclohexyl)methyl]-1,2-oxazole-3-carboxamide
CID 160992806
N-[[(4S)-4-hydroxyazepan-4-yl]methyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 95718758
5-cyclopropyl-N-[(1-thiomorpholin-4-ylcyclohexyl)methyl]-1,2-oxazole-3-carboxamide
CID 119041699
N-(2-chloroprop-2-enyl)-5-cyclopropyl-1,2-oxazole-3-carboxamide
CID 115636972
5-cyclopropyl-N-(2-hydroxy-1-piperidin-4-ylethyl)-1,2-oxazole-3-carboxamide
CID 130188178
6-[(5-cyclopropyl-1,2-oxazole-3-carbonyl)amino]-4,4-dimethylhexanoic acid
CID 65284499
N-[[1-[(2S)-2-aminopropanoyl]-4-methylpiperidin-4-yl]methyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide
CID 130188190
N-[(3-carbamoylphenyl)methyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide
CID 33097528
5-cyclopropyl-N-piperidin-4-yl-1,2-oxazole-3-carboxamide;2,2,2-trifluoroacetic acid
CID 154891187
bis(5-cyclopropyl-1,2-oxazol-3-yl)methanone
CID 175316695
5-cyclopropyl-N-[(3S,4R)-4-methyl-1-piperidin-4-ylpyrrolidin-3-yl]-1,2-oxazole-3-carboxamide
CID 130386694

Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-N-[(4-hydroxypiperidin-4-yl)methyl]-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-cyclopropyl-N-[(4-hydroxypiperidin-4-yl)methyl]-1,2-oxazole-3-carboxamide (CID 130188168) is 5-cyclopropyl-N-[(4-hydroxypiperidin-4-yl)methyl]-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-cyclopropyl-N-[(4-hydroxypiperidin-4-yl)methyl]-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-cyclopropyl-N-[(4-hydroxypiperidin-4-yl)methyl]-1,2-oxazole-3-carboxamide is O=C(NCC1(O)CCNCC1)c1cc(C2CC2)on1.
What is the InChIKey of 5-cyclopropyl-N-[(4-hydroxypiperidin-4-yl)methyl]-1,2-oxazole-3-carboxamide?
The InChIKey is IZKLHZJGMIWHBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3/c17-12(10-7-11(19-16-10)9-1-2-9)15-8-13(18)3-5-14-6-4-13/h7,9,14,18H,1-6,8H2,(H,15,17).
What are the key properties of 5-cyclopropyl-N-[(4-hydroxypiperidin-4-yl)methyl]-1,2-oxazole-3-carboxamide?
5-cyclopropyl-N-[(4-hydroxypiperidin-4-yl)methyl]-1,2-oxazole-3-carboxamide has a molecular weight of 265.31 g/mol, XLogP of 0.40, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-N-[(4-hydroxypiperidin-4-yl)methyl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 130188168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).