2-[[4-(1-hydroxy-3-phenylpropyl)piperidin-1-yl]methyl]-1,3-oxazole-4-carboxylic acid

C19H24N2O4 — CID 134696518

IUPAC2-[[4-(1-hydroxy-3-phenylpropyl)piperidin-1-yl]methyl]-1,3-oxazole-4-carboxylic acid
SMILESO=C(O)c1coc(CN2CCC(C(O)CCc3ccccc3)CC2)n1
InChIInChI=1S/C19H24N2O4/c22-17(7-6-14-4-2-1-3-5-14)15-8-10-21(11-9-15)12-18-20-16(13-25-18)19(23)24/h1-5,13,15,17,22H,6-12H2,(H,23,24)
InChIKeyZSUQTJPWIAIZJY-UHFFFAOYSA-N
MW344.41 g/mol
LogP2.58
Rot. Bonds7

About 2-[[4-(1-hydroxy-3-phenylpropyl)piperidin-1-yl]methyl]-1,3-oxazole-4-carboxylic acid

2-[[4-(1-hydroxy-3-phenylpropyl)piperidin-1-yl]methyl]-1,3-oxazole-4-carboxylic acid (PubChem CID 134696518) has the molecular formula C19H24N2O4 and a molecular weight of 344.41 g/mol. Its IUPAC name is 2-[[4-(1-hydroxy-3-phenylpropyl)piperidin-1-yl]methyl]-1,3-oxazole-4-carboxylic acid.

Molecular Properties

Compound Name2-[[4-(1-hydroxy-3-phenylpropyl)piperidin-1-yl]methyl]-1,3-oxazole-4-carboxylic acid
PubChem CID134696518
Molecular FormulaC19H24N2O4
Molecular Weight344.41 g/mol
Exact Mass344.17
IUPAC Name2-[[4-(1-hydroxy-3-phenylpropyl)piperidin-1-yl]methyl]-1,3-oxazole-4-carboxylic acid
SMILESO=C(O)c1coc(CN2CCC(C(O)CCc3ccccc3)CC2)n1
InChIInChI=1S/C19H24N2O4/c22-17(7-6-14-4-2-1-3-5-14)15-8-10-21(11-9-15)12-18-20-16(13-25-18)19(23)24/h1-5,13,15,17,22H,6-12H2,(H,23,24)
InChIKeyZSUQTJPWIAIZJY-UHFFFAOYSA-N
XLogP2.58
TPSA86.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.41
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-[2-[(4-benzylpiperidin-1-yl)methyl]-1,3-oxazole-4-carbonyl]piperazin-1-yl]ethanone
CID 46043550
2-(piperidin-1-ylmethyl)-1,3-oxazole-4-carboxylic acid
CID 68621530
[2-[(4-benzylpiperazin-1-yl)methyl]-1,3-oxazol-4-yl]-[(2R,5R)-2,5-dimethylpyrrolidin-1-yl]methanone
CID 56722454
2-[(4-benzylpiperazin-1-yl)methyl]-N-(cyclopropylmethyl)-1,3-oxazole-4-carboxamide
CID 42856210
2-[[2-butyl-3a-(2-phenylethyl)-3,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]methyl]-1,3-oxazole-4-carboxylic acid
CID 138387502
2-[(4-benzylpiperidin-1-yl)methyl]-N-(2-pyrrolidin-1-ylethyl)-1,3-oxazole-4-carboxamide
CID 42850917
2-[[4-[(1S)-1-hydroxy-3-phenylpropyl]piperidin-1-yl]methyl]-3,5-dimethyl-1H-pyridin-4-one
CID 164642023
1-[1-(2-methylsulfonylethyl)piperidin-4-yl]-3-phenylpropan-1-ol
CID 134697917
2-[[4-[2-[(1S,2S)-2-phenylcyclopropyl]ethyl]piperidin-1-yl]methyl]-1,3-oxazole-4-carboxylic acid
CID 147869363
2-[(4-benzylpiperidin-1-yl)methyl]-N-(2-pyridin-2-ylethyl)-1,3-oxazole-4-carboxamide
CID 42850919
(1R)-1-cyclopentyl-3-phenylpropan-1-ol
CID 15361902
(4-benzylpiperidin-1-yl)-[2-[[4-(2-hydroxyhex-5-enyl)piperazin-1-yl]methyl]-1,3-oxazol-4-yl]methanone
CID 42855971

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(1-hydroxy-3-phenylpropyl)piperidin-1-yl]methyl]-1,3-oxazole-4-carboxylic acid?
The IUPAC name of 2-[[4-(1-hydroxy-3-phenylpropyl)piperidin-1-yl]methyl]-1,3-oxazole-4-carboxylic acid (CID 134696518) is 2-[[4-(1-hydroxy-3-phenylpropyl)piperidin-1-yl]methyl]-1,3-oxazole-4-carboxylic acid.
What is the SMILES notation for 2-[[4-(1-hydroxy-3-phenylpropyl)piperidin-1-yl]methyl]-1,3-oxazole-4-carboxylic acid?
The canonical SMILES for 2-[[4-(1-hydroxy-3-phenylpropyl)piperidin-1-yl]methyl]-1,3-oxazole-4-carboxylic acid is O=C(O)c1coc(CN2CCC(C(O)CCc3ccccc3)CC2)n1.
What is the InChIKey of 2-[[4-(1-hydroxy-3-phenylpropyl)piperidin-1-yl]methyl]-1,3-oxazole-4-carboxylic acid?
The InChIKey is ZSUQTJPWIAIZJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O4/c22-17(7-6-14-4-2-1-3-5-14)15-8-10-21(11-9-15)12-18-20-16(13-25-18)19(23)24/h1-5,13,15,17,22H,6-12H2,(H,23,24).
What are the key properties of 2-[[4-(1-hydroxy-3-phenylpropyl)piperidin-1-yl]methyl]-1,3-oxazole-4-carboxylic acid?
2-[[4-(1-hydroxy-3-phenylpropyl)piperidin-1-yl]methyl]-1,3-oxazole-4-carboxylic acid has a molecular weight of 344.41 g/mol, XLogP of 2.58, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(1-hydroxy-3-phenylpropyl)piperidin-1-yl]methyl]-1,3-oxazole-4-carboxylic acid is sourced from PubChem (CID 134696518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).