[5-methyl-2-[1-(3-methylthiophene-2-carbonyl)piperidin-4-yl]-1,3-oxazol-4-yl]-pyrrolidin-1-ylmethanone

C20H25N3O3S — CID 71837799

IUPAC[5-methyl-2-[1-(3-methylthiophene-2-carbonyl)piperidin-4-yl]-1,3-oxazol-4-yl]-pyrrolidin-1-ylmethanone
SMILESCc1ccsc1C(=O)N1CCC(c2nc(C(=O)N3CCCC3)c(C)o2)CC1
InChIInChI=1S/C20H25N3O3S/c1-13-7-12-27-17(13)20(25)23-10-5-15(6-11-23)18-21-16(14(2)26-18)19(24)22-8-3-4-9-22/h7,12,15H,3-6,8-11H2,1-2H3
InChIKeyVUCVQWPEWILOMD-UHFFFAOYSA-N
MW387.51 g/mol
LogP3.61
Rot. Bonds3

About [5-methyl-2-[1-(3-methylthiophene-2-carbonyl)piperidin-4-yl]-1,3-oxazol-4-yl]-pyrrolidin-1-ylmethanone

[5-methyl-2-[1-(3-methylthiophene-2-carbonyl)piperidin-4-yl]-1,3-oxazol-4-yl]-pyrrolidin-1-ylmethanone (PubChem CID 71837799) has the molecular formula C20H25N3O3S and a molecular weight of 387.51 g/mol. Its IUPAC name is [5-methyl-2-[1-(3-methylthiophene-2-carbonyl)piperidin-4-yl]-1,3-oxazol-4-yl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[5-methyl-2-[1-(3-methylthiophene-2-carbonyl)piperidin-4-yl]-1,3-oxazol-4-yl]-pyrrolidin-1-ylmethanone
PubChem CID71837799
Molecular FormulaC20H25N3O3S
Molecular Weight387.51 g/mol
Exact Mass387.16
IUPAC Name[5-methyl-2-[1-(3-methylthiophene-2-carbonyl)piperidin-4-yl]-1,3-oxazol-4-yl]-pyrrolidin-1-ylmethanone
SMILESCc1ccsc1C(=O)N1CCC(c2nc(C(=O)N3CCCC3)c(C)o2)CC1
InChIInChI=1S/C20H25N3O3S/c1-13-7-12-27-17(13)20(25)23-10-5-15(6-11-23)18-21-16(14(2)26-18)19(24)22-8-3-4-9-22/h7,12,15H,3-6,8-11H2,1-2H3
InChIKeyVUCVQWPEWILOMD-UHFFFAOYSA-N
XLogP3.61
TPSA66.65 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.51
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [5-methyl-2-[1-(3-methylthiophene-2-carbonyl)piperidin-4-yl]-1,3-oxazol-4-yl]-pyrrolidin-1-ylmethanone 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 [5-methyl-2-[1-(3-methylthiophene-2-carbonyl)piperidin-4-yl]-1,3-oxazol-4-yl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [5-methyl-2-[1-(3-methylthiophene-2-carbonyl)piperidin-4-yl]-1,3-oxazol-4-yl]-pyrrolidin-1-ylmethanone (CID 71837799) is [5-methyl-2-[1-(3-methylthiophene-2-carbonyl)piperidin-4-yl]-1,3-oxazol-4-yl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [5-methyl-2-[1-(3-methylthiophene-2-carbonyl)piperidin-4-yl]-1,3-oxazol-4-yl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [5-methyl-2-[1-(3-methylthiophene-2-carbonyl)piperidin-4-yl]-1,3-oxazol-4-yl]-pyrrolidin-1-ylmethanone is Cc1ccsc1C(=O)N1CCC(c2nc(C(=O)N3CCCC3)c(C)o2)CC1.
What is the InChIKey of [5-methyl-2-[1-(3-methylthiophene-2-carbonyl)piperidin-4-yl]-1,3-oxazol-4-yl]-pyrrolidin-1-ylmethanone?
The InChIKey is VUCVQWPEWILOMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O3S/c1-13-7-12-27-17(13)20(25)23-10-5-15(6-11-23)18-21-16(14(2)26-18)19(24)22-8-3-4-9-22/h7,12,15H,3-6,8-11H2,1-2H3.
What are the key properties of [5-methyl-2-[1-(3-methylthiophene-2-carbonyl)piperidin-4-yl]-1,3-oxazol-4-yl]-pyrrolidin-1-ylmethanone?
[5-methyl-2-[1-(3-methylthiophene-2-carbonyl)piperidin-4-yl]-1,3-oxazol-4-yl]-pyrrolidin-1-ylmethanone has a molecular weight of 387.51 g/mol, XLogP of 3.61, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-methyl-2-[1-(3-methylthiophene-2-carbonyl)piperidin-4-yl]-1,3-oxazol-4-yl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 71837799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).