5-phenyl-2-piperidin-1-yl-1,3-benzoxazole

C18H18N2O — CID 102300837

IUPAC5-phenyl-2-piperidin-1-yl-1,3-benzoxazole
SMILESc1ccc(-c2ccc3oc(N4CCCCC4)nc3c2)cc1
InChIInChI=1S/C18H18N2O/c1-3-7-14(8-4-1)15-9-10-17-16(13-15)19-18(21-17)20-11-5-2-6-12-20/h1,3-4,7-10,13H,2,5-6,11-12H2
InChIKeyBOMKOSBSTSYFIC-UHFFFAOYSA-N
MW278.36 g/mol
LogP4.49
Rot. Bonds2

About 5-phenyl-2-piperidin-1-yl-1,3-benzoxazole

5-phenyl-2-piperidin-1-yl-1,3-benzoxazole (PubChem CID 102300837) has the molecular formula C18H18N2O and a molecular weight of 278.36 g/mol. Its IUPAC name is 5-phenyl-2-piperidin-1-yl-1,3-benzoxazole.

Molecular Properties

Compound Name5-phenyl-2-piperidin-1-yl-1,3-benzoxazole
PubChem CID102300837
Molecular FormulaC18H18N2O
Molecular Weight278.36 g/mol
Exact Mass278.14
IUPAC Name5-phenyl-2-piperidin-1-yl-1,3-benzoxazole
SMILESc1ccc(-c2ccc3oc(N4CCCCC4)nc3c2)cc1
InChIInChI=1S/C18H18N2O/c1-3-7-14(8-4-1)15-9-10-17-16(13-15)19-18(21-17)20-11-5-2-6-12-20/h1,3-4,7-10,13H,2,5-6,11-12H2
InChIKeyBOMKOSBSTSYFIC-UHFFFAOYSA-N
XLogP4.49
TPSA29.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(azocan-1-yl)-1,3-benzoxazol-5-amine
CID 79884635
5-chloro-2-pyrrolidin-1-yl-1,3-benzoxazole
CID 119084724
2-[4-(1,3-benzoxazol-2-yl)-1,4-diazepan-1-yl]-1,3-benzoxazole
CID 14792326
2-piperidin-1-yl-1,3-benzoxazole-5-carbonitrile
CID 141046607
5-phenyl-2-[2-(5-phenyl-1,3-benzoxazol-2-yl)ethyl]-1,3-benzoxazole
CID 91675035
2-methanidyl-5-phenyl-1,3-benzoxazole;yttrium
CID 59968233
1-(2-pyrrolidin-1-yl-1,3-benzoxazol-5-yl)ethanone
CID 83894123
(5-phenyl-1,3-benzoxazol-2-yl)methanol
CID 22062842
5-phenyl-2-(trifluoromethyl)-1,3-benzoxazole
CID 135058168
2-(azepan-1-yl)-1,3-benzoxazol-6-amine
CID 79891137
5-chloro-2-[4-(2-methyl-6-phenylpyrimidin-4-yl)piperazin-1-yl]-1,3-benzoxazole
CID 108775276
[1-(1,3-benzoxazol-2-yl)piperidin-4-yl]-piperidin-1-ylmethanone
CID 3415222

Frequently Asked Questions

What is the IUPAC name of 5-phenyl-2-piperidin-1-yl-1,3-benzoxazole?
The IUPAC name of 5-phenyl-2-piperidin-1-yl-1,3-benzoxazole (CID 102300837) is 5-phenyl-2-piperidin-1-yl-1,3-benzoxazole.
What is the SMILES notation for 5-phenyl-2-piperidin-1-yl-1,3-benzoxazole?
The canonical SMILES for 5-phenyl-2-piperidin-1-yl-1,3-benzoxazole is c1ccc(-c2ccc3oc(N4CCCCC4)nc3c2)cc1.
What is the InChIKey of 5-phenyl-2-piperidin-1-yl-1,3-benzoxazole?
The InChIKey is BOMKOSBSTSYFIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O/c1-3-7-14(8-4-1)15-9-10-17-16(13-15)19-18(21-17)20-11-5-2-6-12-20/h1,3-4,7-10,13H,2,5-6,11-12H2.
What are the key properties of 5-phenyl-2-piperidin-1-yl-1,3-benzoxazole?
5-phenyl-2-piperidin-1-yl-1,3-benzoxazole has a molecular weight of 278.36 g/mol, XLogP of 4.49, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenyl-2-piperidin-1-yl-1,3-benzoxazole is sourced from PubChem (CID 102300837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).