[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-(3-phenyl-1,2-oxazol-5-yl)methanone

C22H19N3O3 — CID 46471114

IUPAC[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-(3-phenyl-1,2-oxazol-5-yl)methanone
SMILESO=C(c1cc(-c2ccccc2)no1)N1CCC(c2nc3ccccc3o2)CC1
InChIInChI=1S/C22H19N3O3/c26-22(20-14-18(24-28-20)15-6-2-1-3-7-15)25-12-10-16(11-13-25)21-23-17-8-4-5-9-19(17)27-21/h1-9,14,16H,10-13H2
InChIKeyVRNCXDNXNNGOND-UHFFFAOYSA-N
MW373.41 g/mol
LogP4.50
Rot. Bonds3

About [4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-(3-phenyl-1,2-oxazol-5-yl)methanone

[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-(3-phenyl-1,2-oxazol-5-yl)methanone (PubChem CID 46471114) has the molecular formula C22H19N3O3 and a molecular weight of 373.41 g/mol. Its IUPAC name is [4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-(3-phenyl-1,2-oxazol-5-yl)methanone.

Molecular Properties

Compound Name[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-(3-phenyl-1,2-oxazol-5-yl)methanone
PubChem CID46471114
Molecular FormulaC22H19N3O3
Molecular Weight373.41 g/mol
Exact Mass373.14
IUPAC Name[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-(3-phenyl-1,2-oxazol-5-yl)methanone
SMILESO=C(c1cc(-c2ccccc2)no1)N1CCC(c2nc3ccccc3o2)CC1
InChIInChI=1S/C22H19N3O3/c26-22(20-14-18(24-28-20)15-6-2-1-3-7-15)25-12-10-16(11-13-25)21-23-17-8-4-5-9-19(17)27-21/h1-9,14,16H,10-13H2
InChIKeyVRNCXDNXNNGOND-UHFFFAOYSA-N
XLogP4.50
TPSA72.37 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.41
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-(2-pyridin-4-ylquinolin-4-yl)methanone
CID 31187490
[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-(5-thiophen-2-yl-1,2-oxazol-3-yl)methanone
CID 51304688
[4-(hydroxymethyl)piperidin-1-yl]-(3-phenyl-1,2-oxazol-5-yl)methanone
CID 60956875
[4-(methylamino)piperidin-1-yl]-(3-phenyl-1,2-oxazol-5-yl)methanone;hydrochloride
CID 119563333
[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-(1,3-dihydro-2-benzofuran-5-yl)methanone
CID 49192438
[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-[5-(2-chlorophenyl)furan-2-yl]methanone
CID 46653955
[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-(1-oxidopyridin-1-ium-4-yl)methanone
CID 51144949
[4-(1-methylimidazol-2-yl)piperidin-1-yl]-(3-phenyl-1,2-oxazol-5-yl)methanone
CID 70761884
1-[4-[4-(1,3-benzoxazol-2-yl)piperidine-1-carbonyl]phenyl]-3-phenylurea
CID 39952257
1-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-2-[(2R)-oxolan-2-yl]ethanone
CID 94123933
[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-(2-thiophen-2-yl-1,3-thiazol-4-yl)methanone
CID 17493120
[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-(4-nitrophenyl)methanone
CID 17011771

Frequently Asked Questions

What is the IUPAC name of [4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-(3-phenyl-1,2-oxazol-5-yl)methanone?
The IUPAC name of [4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-(3-phenyl-1,2-oxazol-5-yl)methanone (CID 46471114) is [4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-(3-phenyl-1,2-oxazol-5-yl)methanone.
What is the SMILES notation for [4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-(3-phenyl-1,2-oxazol-5-yl)methanone?
The canonical SMILES for [4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-(3-phenyl-1,2-oxazol-5-yl)methanone is O=C(c1cc(-c2ccccc2)no1)N1CCC(c2nc3ccccc3o2)CC1.
What is the InChIKey of [4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-(3-phenyl-1,2-oxazol-5-yl)methanone?
The InChIKey is VRNCXDNXNNGOND-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3O3/c26-22(20-14-18(24-28-20)15-6-2-1-3-7-15)25-12-10-16(11-13-25)21-23-17-8-4-5-9-19(17)27-21/h1-9,14,16H,10-13H2.
What are the key properties of [4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-(3-phenyl-1,2-oxazol-5-yl)methanone?
[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-(3-phenyl-1,2-oxazol-5-yl)methanone has a molecular weight of 373.41 g/mol, XLogP of 4.50, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-(3-phenyl-1,2-oxazol-5-yl)methanone is sourced from PubChem (CID 46471114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).