3-phenyl-5-piperidin-4-yl-1,2-oxazole

C14H16N2O — CID 59732015

IUPAC3-phenyl-5-piperidin-4-yl-1,2-oxazole
SMILESc1ccc(-c2cc(C3CCNCC3)on2)cc1
InChIInChI=1S/C14H16N2O/c1-2-4-11(5-3-1)13-10-14(17-16-13)12-6-8-15-9-7-12/h1-5,10,12,15H,6-9H2
InChIKeyVKKGXTSWKMFQMU-UHFFFAOYSA-N
MW228.30 g/mol
LogP2.81
Rot. Bonds2

About 3-phenyl-5-piperidin-4-yl-1,2-oxazole

3-phenyl-5-piperidin-4-yl-1,2-oxazole (PubChem CID 59732015) has the molecular formula C14H16N2O and a molecular weight of 228.30 g/mol. Its IUPAC name is 3-phenyl-5-piperidin-4-yl-1,2-oxazole.

Molecular Properties

Compound Name3-phenyl-5-piperidin-4-yl-1,2-oxazole
PubChem CID59732015
Molecular FormulaC14H16N2O
Molecular Weight228.30 g/mol
Exact Mass228.13
IUPAC Name3-phenyl-5-piperidin-4-yl-1,2-oxazole
SMILESc1ccc(-c2cc(C3CCNCC3)on2)cc1
InChIInChI=1S/C14H16N2O/c1-2-4-11(5-3-1)13-10-14(17-16-13)12-6-8-15-9-7-12/h1-5,10,12,15H,6-9H2
InChIKeyVKKGXTSWKMFQMU-UHFFFAOYSA-N
XLogP2.81
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.30
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-fluorophenyl)-5-piperidin-4-yl-1,2-oxazole
CID 170765884
5-(1-methylpiperidin-4-yl)-3-phenyl-1,2-oxazole
CID 142020572
3-phenyl-5-[(2S)-pyrrolidin-2-yl]-1,2-oxazole
CID 10242348
3-(4-piperidin-4-ylphenyl)-1,2-oxazol-5-amine
CID 117360425
5-(4-phenylphenyl)-3-piperidin-4-yl-1,2,4-oxadiazole
CID 59657751
6-(5-piperidin-4-yl-1,2-oxazol-3-yl)-4H-1,4-benzoxazin-3-one
CID 177226835
4-phenyl-2-piperidin-4-yl-1,3-thiazole;dihydrochloride
CID 50988268
hydron;4-phenyl-2-piperidin-4-yl-1,3-thiazole;chloride
CID 71677758
3-phenyl-5-(4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridin-4-yl)-1,2-oxazole
CID 56704921
5-phenyl-3-[(3R)-pyrrolidin-3-yl]-1,2,4-oxadiazole
CID 99727838
3-(3-phenyl-1,2-oxazol-5-yl)-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one;hydrochloride
CID 137251873
3-phenyl-N-piperidin-4-yl-N-propyl-1,2-oxazole-5-carboxamide
CID 119825777

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-5-piperidin-4-yl-1,2-oxazole?
The IUPAC name of 3-phenyl-5-piperidin-4-yl-1,2-oxazole (CID 59732015) is 3-phenyl-5-piperidin-4-yl-1,2-oxazole.
What is the SMILES notation for 3-phenyl-5-piperidin-4-yl-1,2-oxazole?
The canonical SMILES for 3-phenyl-5-piperidin-4-yl-1,2-oxazole is c1ccc(-c2cc(C3CCNCC3)on2)cc1.
What is the InChIKey of 3-phenyl-5-piperidin-4-yl-1,2-oxazole?
The InChIKey is VKKGXTSWKMFQMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O/c1-2-4-11(5-3-1)13-10-14(17-16-13)12-6-8-15-9-7-12/h1-5,10,12,15H,6-9H2.
What are the key properties of 3-phenyl-5-piperidin-4-yl-1,2-oxazole?
3-phenyl-5-piperidin-4-yl-1,2-oxazole has a molecular weight of 228.30 g/mol, XLogP of 2.81, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-5-piperidin-4-yl-1,2-oxazole is sourced from PubChem (CID 59732015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).