2-[1-(2-phenyl-1,3-benzoxazole-5-carbonyl)piperidin-4-yl]-1-pyrrolidin-1-ylethanone

C25H27N3O3 — CID 53103375

IUPAC2-[1-(2-phenyl-1,3-benzoxazole-5-carbonyl)piperidin-4-yl]-1-pyrrolidin-1-ylethanone
SMILESO=C(CC1CCN(C(=O)c2ccc3oc(-c4ccccc4)nc3c2)CC1)N1CCCC1
InChIInChI=1S/C25H27N3O3/c29-23(27-12-4-5-13-27)16-18-10-14-28(15-11-18)25(30)20-8-9-22-21(17-20)26-24(31-22)19-6-2-1-3-7-19/h1-3,6-9,17-18H,4-5,10-16H2
InChIKeyCGZAOMZWIWSGMZ-UHFFFAOYSA-N
MW417.51 g/mol
LogP4.36
Rot. Bonds4

About 2-[1-(2-phenyl-1,3-benzoxazole-5-carbonyl)piperidin-4-yl]-1-pyrrolidin-1-ylethanone

2-[1-(2-phenyl-1,3-benzoxazole-5-carbonyl)piperidin-4-yl]-1-pyrrolidin-1-ylethanone (PubChem CID 53103375) has the molecular formula C25H27N3O3 and a molecular weight of 417.51 g/mol. Its IUPAC name is 2-[1-(2-phenyl-1,3-benzoxazole-5-carbonyl)piperidin-4-yl]-1-pyrrolidin-1-ylethanone.

Molecular Properties

Compound Name2-[1-(2-phenyl-1,3-benzoxazole-5-carbonyl)piperidin-4-yl]-1-pyrrolidin-1-ylethanone
PubChem CID53103375
Molecular FormulaC25H27N3O3
Molecular Weight417.51 g/mol
Exact Mass417.21
IUPAC Name2-[1-(2-phenyl-1,3-benzoxazole-5-carbonyl)piperidin-4-yl]-1-pyrrolidin-1-ylethanone
SMILESO=C(CC1CCN(C(=O)c2ccc3oc(-c4ccccc4)nc3c2)CC1)N1CCCC1
InChIInChI=1S/C25H27N3O3/c29-23(27-12-4-5-13-27)16-18-10-14-28(15-11-18)25(30)20-8-9-22-21(17-20)26-24(31-22)19-6-2-1-3-7-19/h1-3,6-9,17-18H,4-5,10-16H2
InChIKeyCGZAOMZWIWSGMZ-UHFFFAOYSA-N
XLogP4.36
TPSA66.65 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.51
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-[1-(2-phenyl-1,3-benzoxazole-5-carbonyl)piperidin-4-yl]-1-pyrrolidin-1-ylethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-phenyl-1,3-benzoxazole-5-carbonyl)piperidin-4-yl]-1-pyrrolidin-1-ylethanone?
The IUPAC name of 2-[1-(2-phenyl-1,3-benzoxazole-5-carbonyl)piperidin-4-yl]-1-pyrrolidin-1-ylethanone (CID 53103375) is 2-[1-(2-phenyl-1,3-benzoxazole-5-carbonyl)piperidin-4-yl]-1-pyrrolidin-1-ylethanone.
What is the SMILES notation for 2-[1-(2-phenyl-1,3-benzoxazole-5-carbonyl)piperidin-4-yl]-1-pyrrolidin-1-ylethanone?
The canonical SMILES for 2-[1-(2-phenyl-1,3-benzoxazole-5-carbonyl)piperidin-4-yl]-1-pyrrolidin-1-ylethanone is O=C(CC1CCN(C(=O)c2ccc3oc(-c4ccccc4)nc3c2)CC1)N1CCCC1.
What is the InChIKey of 2-[1-(2-phenyl-1,3-benzoxazole-5-carbonyl)piperidin-4-yl]-1-pyrrolidin-1-ylethanone?
The InChIKey is CGZAOMZWIWSGMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N3O3/c29-23(27-12-4-5-13-27)16-18-10-14-28(15-11-18)25(30)20-8-9-22-21(17-20)26-24(31-22)19-6-2-1-3-7-19/h1-3,6-9,17-18H,4-5,10-16H2.
What are the key properties of 2-[1-(2-phenyl-1,3-benzoxazole-5-carbonyl)piperidin-4-yl]-1-pyrrolidin-1-ylethanone?
2-[1-(2-phenyl-1,3-benzoxazole-5-carbonyl)piperidin-4-yl]-1-pyrrolidin-1-ylethanone has a molecular weight of 417.51 g/mol, XLogP of 4.36, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-phenyl-1,3-benzoxazole-5-carbonyl)piperidin-4-yl]-1-pyrrolidin-1-ylethanone is sourced from PubChem (CID 53103375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).