1-[(2-morpholin-4-yl-1,3-thiazol-5-yl)methyl]-4-[(3-phenyl-1,2-oxazol-5-yl)methyl]piperidin-4-ol

C23H28N4O3S — CID 42454719

IUPAC1-[(2-morpholin-4-yl-1,3-thiazol-5-yl)methyl]-4-[(3-phenyl-1,2-oxazol-5-yl)methyl]piperidin-4-ol
SMILESOC1(Cc2cc(-c3ccccc3)no2)CCN(Cc2cnc(N3CCOCC3)s2)CC1
InChIInChI=1S/C23H28N4O3S/c28-23(15-19-14-21(25-30-19)18-4-2-1-3-5-18)6-8-26(9-7-23)17-20-16-24-22(31-20)27-10-12-29-13-11-27/h1-5,14,16,28H,6-13,15,17H2
InChIKeyDTWWWNURJWFLSB-UHFFFAOYSA-N
MW440.57 g/mol
LogP3.20
Rot. Bonds6

About 1-[(2-morpholin-4-yl-1,3-thiazol-5-yl)methyl]-4-[(3-phenyl-1,2-oxazol-5-yl)methyl]piperidin-4-ol

1-[(2-morpholin-4-yl-1,3-thiazol-5-yl)methyl]-4-[(3-phenyl-1,2-oxazol-5-yl)methyl]piperidin-4-ol (PubChem CID 42454719) has the molecular formula C23H28N4O3S and a molecular weight of 440.57 g/mol. Its IUPAC name is 1-[(2-morpholin-4-yl-1,3-thiazol-5-yl)methyl]-4-[(3-phenyl-1,2-oxazol-5-yl)methyl]piperidin-4-ol.

Molecular Properties

Compound Name1-[(2-morpholin-4-yl-1,3-thiazol-5-yl)methyl]-4-[(3-phenyl-1,2-oxazol-5-yl)methyl]piperidin-4-ol
PubChem CID42454719
Molecular FormulaC23H28N4O3S
Molecular Weight440.57 g/mol
Exact Mass440.19
IUPAC Name1-[(2-morpholin-4-yl-1,3-thiazol-5-yl)methyl]-4-[(3-phenyl-1,2-oxazol-5-yl)methyl]piperidin-4-ol
SMILESOC1(Cc2cc(-c3ccccc3)no2)CCN(Cc2cnc(N3CCOCC3)s2)CC1
InChIInChI=1S/C23H28N4O3S/c28-23(15-19-14-21(25-30-19)18-4-2-1-3-5-18)6-8-26(9-7-23)17-20-16-24-22(31-20)27-10-12-29-13-11-27/h1-5,14,16,28H,6-13,15,17H2
InChIKeyDTWWWNURJWFLSB-UHFFFAOYSA-N
XLogP3.20
TPSA74.86 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.57
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 1-[(2-morpholin-4-yl-1,3-thiazol-5-yl)methyl]-4-[(3-phenyl-1,2-oxazol-5-yl)methyl]piperidin-4-ol 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 1-[(2-morpholin-4-yl-1,3-thiazol-5-yl)methyl]-4-[(3-phenyl-1,2-oxazol-5-yl)methyl]piperidin-4-ol?
The IUPAC name of 1-[(2-morpholin-4-yl-1,3-thiazol-5-yl)methyl]-4-[(3-phenyl-1,2-oxazol-5-yl)methyl]piperidin-4-ol (CID 42454719) is 1-[(2-morpholin-4-yl-1,3-thiazol-5-yl)methyl]-4-[(3-phenyl-1,2-oxazol-5-yl)methyl]piperidin-4-ol.
What is the SMILES notation for 1-[(2-morpholin-4-yl-1,3-thiazol-5-yl)methyl]-4-[(3-phenyl-1,2-oxazol-5-yl)methyl]piperidin-4-ol?
The canonical SMILES for 1-[(2-morpholin-4-yl-1,3-thiazol-5-yl)methyl]-4-[(3-phenyl-1,2-oxazol-5-yl)methyl]piperidin-4-ol is OC1(Cc2cc(-c3ccccc3)no2)CCN(Cc2cnc(N3CCOCC3)s2)CC1.
What is the InChIKey of 1-[(2-morpholin-4-yl-1,3-thiazol-5-yl)methyl]-4-[(3-phenyl-1,2-oxazol-5-yl)methyl]piperidin-4-ol?
The InChIKey is DTWWWNURJWFLSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O3S/c28-23(15-19-14-21(25-30-19)18-4-2-1-3-5-18)6-8-26(9-7-23)17-20-16-24-22(31-20)27-10-12-29-13-11-27/h1-5,14,16,28H,6-13,15,17H2.
What are the key properties of 1-[(2-morpholin-4-yl-1,3-thiazol-5-yl)methyl]-4-[(3-phenyl-1,2-oxazol-5-yl)methyl]piperidin-4-ol?
1-[(2-morpholin-4-yl-1,3-thiazol-5-yl)methyl]-4-[(3-phenyl-1,2-oxazol-5-yl)methyl]piperidin-4-ol has a molecular weight of 440.57 g/mol, XLogP of 3.20, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-morpholin-4-yl-1,3-thiazol-5-yl)methyl]-4-[(3-phenyl-1,2-oxazol-5-yl)methyl]piperidin-4-ol is sourced from PubChem (CID 42454719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).