2-[1-(1,2-oxazol-5-ylmethyl)-2-phenylpiperidin-4-yl]acetic acid

C17H20N2O3 — CID 70083468

IUPAC2-[1-(1,2-oxazol-5-ylmethyl)-2-phenylpiperidin-4-yl]acetic acid
SMILESO=C(O)CC1CCN(Cc2ccno2)C(c2ccccc2)C1
InChIInChI=1S/C17H20N2O3/c20-17(21)11-13-7-9-19(12-15-6-8-18-22-15)16(10-13)14-4-2-1-3-5-14/h1-6,8,13,16H,7,9-12H2,(H,20,21)
InChIKeyWFIMFTCEZOYDMQ-UHFFFAOYSA-N
MW300.36 g/mol
LogP3.10
Rot. Bonds5

About 2-[1-(1,2-oxazol-5-ylmethyl)-2-phenylpiperidin-4-yl]acetic acid

2-[1-(1,2-oxazol-5-ylmethyl)-2-phenylpiperidin-4-yl]acetic acid (PubChem CID 70083468) has the molecular formula C17H20N2O3 and a molecular weight of 300.36 g/mol. Its IUPAC name is 2-[1-(1,2-oxazol-5-ylmethyl)-2-phenylpiperidin-4-yl]acetic acid.

Molecular Properties

Compound Name2-[1-(1,2-oxazol-5-ylmethyl)-2-phenylpiperidin-4-yl]acetic acid
PubChem CID70083468
Molecular FormulaC17H20N2O3
Molecular Weight300.36 g/mol
Exact Mass300.15
IUPAC Name2-[1-(1,2-oxazol-5-ylmethyl)-2-phenylpiperidin-4-yl]acetic acid
SMILESO=C(O)CC1CCN(Cc2ccno2)C(c2ccccc2)C1
InChIInChI=1S/C17H20N2O3/c20-17(21)11-13-7-9-19(12-15-6-8-18-22-15)16(10-13)14-4-2-1-3-5-14/h1-6,8,13,16H,7,9-12H2,(H,20,21)
InChIKeyWFIMFTCEZOYDMQ-UHFFFAOYSA-N
XLogP3.10
TPSA66.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2S,4R)-2-[4-(trifluoromethyl)phenyl]-1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]acetic acid
CID 87448368
cyclopropane;2-[2-[4-(trifluoromethyl)phenyl]-1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]acetic acid
CID 143215802
2-[2-[4-(trifluoromethyl)phenyl]-1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]acetic acid
CID 76697399
2-[1-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-2-[4-(trifluoromethyl)phenyl]piperidin-4-yl]acetic acid
CID 143215726
N,N-dimethyl-3-[(2R)-1-(1,2-oxazol-5-ylmethyl)pyrrolidin-2-yl]aniline
CID 95901092
2-methylbutane;2-[1-[[4-(1,1,2,2,2-pentafluoroethyl)phenyl]methyl]-2-[4-(trifluoromethyl)phenyl]piperidin-4-yl]acetic acid
CID 143215767
2-[1-[[2,5-bis(trifluoromethyl)phenyl]methyl]-2-[4-(trifluoromethoxy)phenyl]piperidin-4-yl]acetic acid
CID 76697366
2-[(2S,4R)-2-(4-propylphenyl)-1-(4,4,4-trifluorobutyl)piperidin-4-yl]acetic acid
CID 143569554
3-cyclopentyl-2-[1-(1,2-oxazol-5-ylmethyl)pyrrolidin-2-yl]quinazolin-4-one
CID 126950022
2-[8-(1,2-oxazole-5-carbonyl)-8-azabicyclo[3.2.1]octan-3-yl]acetic acid
CID 115278684
N-methyl-N-(1,2-oxazol-5-ylmethyl)-2-[(3S)-3-phenylpiperidin-1-yl]acetamide
CID 97113287
N-methyl-N-(1,2-oxazol-5-ylmethyl)-2-[(3R)-3-phenylpiperidin-1-yl]acetamide
CID 97113286

Frequently Asked Questions

What is the IUPAC name of 2-[1-(1,2-oxazol-5-ylmethyl)-2-phenylpiperidin-4-yl]acetic acid?
The IUPAC name of 2-[1-(1,2-oxazol-5-ylmethyl)-2-phenylpiperidin-4-yl]acetic acid (CID 70083468) is 2-[1-(1,2-oxazol-5-ylmethyl)-2-phenylpiperidin-4-yl]acetic acid.
What is the SMILES notation for 2-[1-(1,2-oxazol-5-ylmethyl)-2-phenylpiperidin-4-yl]acetic acid?
The canonical SMILES for 2-[1-(1,2-oxazol-5-ylmethyl)-2-phenylpiperidin-4-yl]acetic acid is O=C(O)CC1CCN(Cc2ccno2)C(c2ccccc2)C1.
What is the InChIKey of 2-[1-(1,2-oxazol-5-ylmethyl)-2-phenylpiperidin-4-yl]acetic acid?
The InChIKey is WFIMFTCEZOYDMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O3/c20-17(21)11-13-7-9-19(12-15-6-8-18-22-15)16(10-13)14-4-2-1-3-5-14/h1-6,8,13,16H,7,9-12H2,(H,20,21).
What are the key properties of 2-[1-(1,2-oxazol-5-ylmethyl)-2-phenylpiperidin-4-yl]acetic acid?
2-[1-(1,2-oxazol-5-ylmethyl)-2-phenylpiperidin-4-yl]acetic acid has a molecular weight of 300.36 g/mol, XLogP of 3.10, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(1,2-oxazol-5-ylmethyl)-2-phenylpiperidin-4-yl]acetic acid is sourced from PubChem (CID 70083468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).