1-[(2-cyclopropyl-1,3-oxazol-5-yl)methyl]-4-phenylpiperidine-4-carboxylic acid

C19H22N2O3 — CID 167909682

IUPAC1-[(2-cyclopropyl-1,3-oxazol-5-yl)methyl]-4-phenylpiperidine-4-carboxylic acid
SMILESO=C(O)C1(c2ccccc2)CCN(Cc2cnc(C3CC3)o2)CC1
InChIInChI=1S/C19H22N2O3/c22-18(23)19(15-4-2-1-3-5-15)8-10-21(11-9-19)13-16-12-20-17(24-16)14-6-7-14/h1-5,12,14H,6-11,13H2,(H,22,23)
InChIKeyYICBJQVDNCIMIQ-UHFFFAOYSA-N
MW326.40 g/mol
LogP3.17
Rot. Bonds5

About 1-[(2-cyclopropyl-1,3-oxazol-5-yl)methyl]-4-phenylpiperidine-4-carboxylic acid

1-[(2-cyclopropyl-1,3-oxazol-5-yl)methyl]-4-phenylpiperidine-4-carboxylic acid (PubChem CID 167909682) has the molecular formula C19H22N2O3 and a molecular weight of 326.40 g/mol. Its IUPAC name is 1-[(2-cyclopropyl-1,3-oxazol-5-yl)methyl]-4-phenylpiperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[(2-cyclopropyl-1,3-oxazol-5-yl)methyl]-4-phenylpiperidine-4-carboxylic acid
PubChem CID167909682
Molecular FormulaC19H22N2O3
Molecular Weight326.40 g/mol
Exact Mass326.16
IUPAC Name1-[(2-cyclopropyl-1,3-oxazol-5-yl)methyl]-4-phenylpiperidine-4-carboxylic acid
SMILESO=C(O)C1(c2ccccc2)CCN(Cc2cnc(C3CC3)o2)CC1
InChIInChI=1S/C19H22N2O3/c22-18(23)19(15-4-2-1-3-5-15)8-10-21(11-9-19)13-16-12-20-17(24-16)14-6-7-14/h1-5,12,14H,6-11,13H2,(H,22,23)
InChIKeyYICBJQVDNCIMIQ-UHFFFAOYSA-N
XLogP3.17
TPSA66.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-[(2-cyclopropyl-1,3-oxazol-5-yl)methyl]-1-oxa-6-azaspiro[2.5]octane
CID 142754320
1-(furan-3-ylmethyl)-4-phenylpiperidine-4-carboxylic acid
CID 65072209
2-(3-chlorophenyl)-1-[4-[(2-cyclopropyl-1,3-oxazol-5-yl)methyl]piperazin-1-yl]ethanone
CID 136555234
1-[(2-fluorophenyl)methyl]-4-phenylpiperidine-4-carboxylic acid
CID 91252279
[1-[(2-phenyl-1,3-oxazol-5-yl)methyl]piperidin-4-yl]urea
CID 146138459
(3R)-1-[(2-ethylpyrimidin-5-yl)methyl]-3-phenylpyrrolidine-3-carboxylic acid
CID 124751059
2-[2-(1-methylpiperidin-4-yl)-1,3-oxazol-5-yl]acetic acid
CID 115085180
4-phenyl-1-(thiolan-3-ylmethyl)piperidine-4-carboxylic acid
CID 107133706
4-hydroxy-1-[(5-phenyl-1,3-oxazol-2-yl)methyl]piperidine-4-carboxylic acid
CID 167922914
1-benzyl-4-(2-bromo-3-pyridinyl)piperidine-4-carboxylic acid
CID 146265884
1-hexyl-4-phenylpiperidine-4-carboxylic acid;hydrochloride
CID 67764311
1-[(2-tert-butylpyrazol-3-yl)methyl]-3-phenylpyrrolidine-3-carboxylic acid
CID 146144702

Frequently Asked Questions

What is the IUPAC name of 1-[(2-cyclopropyl-1,3-oxazol-5-yl)methyl]-4-phenylpiperidine-4-carboxylic acid?
The IUPAC name of 1-[(2-cyclopropyl-1,3-oxazol-5-yl)methyl]-4-phenylpiperidine-4-carboxylic acid (CID 167909682) is 1-[(2-cyclopropyl-1,3-oxazol-5-yl)methyl]-4-phenylpiperidine-4-carboxylic acid.
What is the SMILES notation for 1-[(2-cyclopropyl-1,3-oxazol-5-yl)methyl]-4-phenylpiperidine-4-carboxylic acid?
The canonical SMILES for 1-[(2-cyclopropyl-1,3-oxazol-5-yl)methyl]-4-phenylpiperidine-4-carboxylic acid is O=C(O)C1(c2ccccc2)CCN(Cc2cnc(C3CC3)o2)CC1.
What is the InChIKey of 1-[(2-cyclopropyl-1,3-oxazol-5-yl)methyl]-4-phenylpiperidine-4-carboxylic acid?
The InChIKey is YICBJQVDNCIMIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O3/c22-18(23)19(15-4-2-1-3-5-15)8-10-21(11-9-19)13-16-12-20-17(24-16)14-6-7-14/h1-5,12,14H,6-11,13H2,(H,22,23).
What are the key properties of 1-[(2-cyclopropyl-1,3-oxazol-5-yl)methyl]-4-phenylpiperidine-4-carboxylic acid?
1-[(2-cyclopropyl-1,3-oxazol-5-yl)methyl]-4-phenylpiperidine-4-carboxylic acid has a molecular weight of 326.40 g/mol, XLogP of 3.17, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-cyclopropyl-1,3-oxazol-5-yl)methyl]-4-phenylpiperidine-4-carboxylic acid is sourced from PubChem (CID 167909682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).