3-[4-[2-[2-methyl-5-(1-piperidin-4-yloxyethyl)anilino]-1,3-oxazol-5-yl]-2-pyridinyl]-1H-imidazol-2-one

C25H28N6O3 — CID 90233690

IUPAC3-[4-[2-[2-methyl-5-(1-piperidin-4-yloxyethyl)anilino]-1,3-oxazol-5-yl]-2-pyridinyl]-1H-imidazol-2-one
SMILESCc1ccc(C(C)OC2CCNCC2)cc1Nc1ncc(-c2ccnc(-n3cc[nH]c3=O)c2)o1
InChIInChI=1S/C25H28N6O3/c1-16-3-4-18(17(2)33-20-6-8-26-9-7-20)13-21(16)30-24-29-15-22(34-24)19-5-10-27-23(14-19)31-12-11-28-25(31)32/h3-5,10-15,17,20,26H,6-9H2,1-2H3,(H,28,32)(H,29,30)
InChIKeyPEIBHZQBVQDSCJ-UHFFFAOYSA-N
MW460.54 g/mol
LogP4.10
Rot. Bonds7

About 3-[4-[2-[2-methyl-5-(1-piperidin-4-yloxyethyl)anilino]-1,3-oxazol-5-yl]-2-pyridinyl]-1H-imidazol-2-one

3-[4-[2-[2-methyl-5-(1-piperidin-4-yloxyethyl)anilino]-1,3-oxazol-5-yl]-2-pyridinyl]-1H-imidazol-2-one (PubChem CID 90233690) has the molecular formula C25H28N6O3 and a molecular weight of 460.54 g/mol. Its IUPAC name is 3-[4-[2-[2-methyl-5-(1-piperidin-4-yloxyethyl)anilino]-1,3-oxazol-5-yl]-2-pyridinyl]-1H-imidazol-2-one.

Molecular Properties

Compound Name3-[4-[2-[2-methyl-5-(1-piperidin-4-yloxyethyl)anilino]-1,3-oxazol-5-yl]-2-pyridinyl]-1H-imidazol-2-one
PubChem CID90233690
Molecular FormulaC25H28N6O3
Molecular Weight460.54 g/mol
Exact Mass460.22
IUPAC Name3-[4-[2-[2-methyl-5-(1-piperidin-4-yloxyethyl)anilino]-1,3-oxazol-5-yl]-2-pyridinyl]-1H-imidazol-2-one
SMILESCc1ccc(C(C)OC2CCNCC2)cc1Nc1ncc(-c2ccnc(-n3cc[nH]c3=O)c2)o1
InChIInChI=1S/C25H28N6O3/c1-16-3-4-18(17(2)33-20-6-8-26-9-7-20)13-21(16)30-24-29-15-22(34-24)19-5-10-27-23(14-19)31-12-11-28-25(31)32/h3-5,10-15,17,20,26H,6-9H2,1-2H3,(H,28,32)(H,29,30)
InChIKeyPEIBHZQBVQDSCJ-UHFFFAOYSA-N
XLogP4.10
TPSA110.00 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.54
LogP ≤ 54.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 3-[4-[2-[2-methyl-5-(1-piperidin-4-yloxyethyl)anilino]-1,3-oxazol-5-yl]-2-pyridinyl]-1H-imidazol-2-one 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 3-[4-[2-[2-methyl-5-(1-piperidin-4-yloxyethyl)anilino]-1,3-oxazol-5-yl]-2-pyridinyl]-1H-imidazol-2-one?
The IUPAC name of 3-[4-[2-[2-methyl-5-(1-piperidin-4-yloxyethyl)anilino]-1,3-oxazol-5-yl]-2-pyridinyl]-1H-imidazol-2-one (CID 90233690) is 3-[4-[2-[2-methyl-5-(1-piperidin-4-yloxyethyl)anilino]-1,3-oxazol-5-yl]-2-pyridinyl]-1H-imidazol-2-one.
What is the SMILES notation for 3-[4-[2-[2-methyl-5-(1-piperidin-4-yloxyethyl)anilino]-1,3-oxazol-5-yl]-2-pyridinyl]-1H-imidazol-2-one?
The canonical SMILES for 3-[4-[2-[2-methyl-5-(1-piperidin-4-yloxyethyl)anilino]-1,3-oxazol-5-yl]-2-pyridinyl]-1H-imidazol-2-one is Cc1ccc(C(C)OC2CCNCC2)cc1Nc1ncc(-c2ccnc(-n3cc[nH]c3=O)c2)o1.
What is the InChIKey of 3-[4-[2-[2-methyl-5-(1-piperidin-4-yloxyethyl)anilino]-1,3-oxazol-5-yl]-2-pyridinyl]-1H-imidazol-2-one?
The InChIKey is PEIBHZQBVQDSCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N6O3/c1-16-3-4-18(17(2)33-20-6-8-26-9-7-20)13-21(16)30-24-29-15-22(34-24)19-5-10-27-23(14-19)31-12-11-28-25(31)32/h3-5,10-15,17,20,26H,6-9H2,1-2H3,(H,28,32)(H,29,30).
What are the key properties of 3-[4-[2-[2-methyl-5-(1-piperidin-4-yloxyethyl)anilino]-1,3-oxazol-5-yl]-2-pyridinyl]-1H-imidazol-2-one?
3-[4-[2-[2-methyl-5-(1-piperidin-4-yloxyethyl)anilino]-1,3-oxazol-5-yl]-2-pyridinyl]-1H-imidazol-2-one has a molecular weight of 460.54 g/mol, XLogP of 4.10, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[2-[2-methyl-5-(1-piperidin-4-yloxyethyl)anilino]-1,3-oxazol-5-yl]-2-pyridinyl]-1H-imidazol-2-one is sourced from PubChem (CID 90233690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).