3-hydroxy-N-[(5-phenyl-1,3-oxazol-2-yl)methyl]piperidine-3-carboxamide

C16H19N3O3 — CID 138033045

IUPAC3-hydroxy-N-[(5-phenyl-1,3-oxazol-2-yl)methyl]piperidine-3-carboxamide
SMILESO=C(NCc1ncc(-c2ccccc2)o1)C1(O)CCCNC1
InChIInChI=1S/C16H19N3O3/c20-15(16(21)7-4-8-17-11-16)19-10-14-18-9-13(22-14)12-5-2-1-3-6-12/h1-3,5-6,9,17,21H,4,7-8,10-11H2,(H,19,20)
InChIKeyJBCNCPODXKJPBA-UHFFFAOYSA-N
MW301.35 g/mol
LogP1.07
Rot. Bonds4

About 3-hydroxy-N-[(5-phenyl-1,3-oxazol-2-yl)methyl]piperidine-3-carboxamide

3-hydroxy-N-[(5-phenyl-1,3-oxazol-2-yl)methyl]piperidine-3-carboxamide (PubChem CID 138033045) has the molecular formula C16H19N3O3 and a molecular weight of 301.35 g/mol. Its IUPAC name is 3-hydroxy-N-[(5-phenyl-1,3-oxazol-2-yl)methyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name3-hydroxy-N-[(5-phenyl-1,3-oxazol-2-yl)methyl]piperidine-3-carboxamide
PubChem CID138033045
Molecular FormulaC16H19N3O3
Molecular Weight301.35 g/mol
Exact Mass301.14
IUPAC Name3-hydroxy-N-[(5-phenyl-1,3-oxazol-2-yl)methyl]piperidine-3-carboxamide
SMILESO=C(NCc1ncc(-c2ccccc2)o1)C1(O)CCCNC1
InChIInChI=1S/C16H19N3O3/c20-15(16(21)7-4-8-17-11-16)19-10-14-18-9-13(22-14)12-5-2-1-3-6-12/h1-3,5-6,9,17,21H,4,7-8,10-11H2,(H,19,20)
InChIKeyJBCNCPODXKJPBA-UHFFFAOYSA-N
XLogP1.07
TPSA87.39 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 51.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(1-hydroxycyclohexyl)methyl]-3-[(5-phenyl-1,3-oxazol-2-yl)methyl]urea
CID 110936606
1-[2-(hydroxymethyl)-2-methylcyclopentyl]-3-[(5-phenyl-1,3-oxazol-2-yl)methyl]urea
CID 111504918
N-[(5-phenyl-1,3-oxazol-2-yl)methyl]butanamide
CID 47176259
1-(5,5-dimethylhexyl)-3-[(5-phenyl-1,3-oxazol-2-yl)methyl]urea
CID 86890674
1-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-3-[(5-phenyl-1,3-oxazol-2-yl)methyl]urea
CID 111630637
2-hydroxy-2-phenyl-N-[(5-phenyl-1,3-oxazol-2-yl)methyl]acetamide
CID 111536667
2-(3,3-dimethylpyrrolidin-1-yl)-N-[(5-phenyl-1,3-oxazol-2-yl)methyl]acetamide
CID 138004669
1-[(1-ethylcyclobutyl)methyl]-2-methyl-3-[(5-phenyl-1,3-oxazol-2-yl)methyl]guanidine
CID 109468743
(2R)-2-phenyl-N-[(5-phenyl-1,3-oxazol-2-yl)methyl]propanamide
CID 99626152
N-[(5-phenyl-1,3-oxazol-2-yl)methyl]pyridine-3-carboxamide
CID 24957460
4-hydroxy-1-[(5-phenyl-1,3-oxazol-2-yl)methyl]piperidine-4-carboxylic acid
CID 167922914
1-[3-(2-oxopyrrolidin-1-yl)propyl]-3-[(5-phenyl-1,3-oxazol-2-yl)methyl]urea
CID 51081529

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-N-[(5-phenyl-1,3-oxazol-2-yl)methyl]piperidine-3-carboxamide?
The IUPAC name of 3-hydroxy-N-[(5-phenyl-1,3-oxazol-2-yl)methyl]piperidine-3-carboxamide (CID 138033045) is 3-hydroxy-N-[(5-phenyl-1,3-oxazol-2-yl)methyl]piperidine-3-carboxamide.
What is the SMILES notation for 3-hydroxy-N-[(5-phenyl-1,3-oxazol-2-yl)methyl]piperidine-3-carboxamide?
The canonical SMILES for 3-hydroxy-N-[(5-phenyl-1,3-oxazol-2-yl)methyl]piperidine-3-carboxamide is O=C(NCc1ncc(-c2ccccc2)o1)C1(O)CCCNC1.
What is the InChIKey of 3-hydroxy-N-[(5-phenyl-1,3-oxazol-2-yl)methyl]piperidine-3-carboxamide?
The InChIKey is JBCNCPODXKJPBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O3/c20-15(16(21)7-4-8-17-11-16)19-10-14-18-9-13(22-14)12-5-2-1-3-6-12/h1-3,5-6,9,17,21H,4,7-8,10-11H2,(H,19,20).
What are the key properties of 3-hydroxy-N-[(5-phenyl-1,3-oxazol-2-yl)methyl]piperidine-3-carboxamide?
3-hydroxy-N-[(5-phenyl-1,3-oxazol-2-yl)methyl]piperidine-3-carboxamide has a molecular weight of 301.35 g/mol, XLogP of 1.07, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-N-[(5-phenyl-1,3-oxazol-2-yl)methyl]piperidine-3-carboxamide is sourced from PubChem (CID 138033045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).