[4-methyl-4-(5-methyl-1,3-thiazol-2-yl)piperidin-1-yl]-(5-propyl-1,2-oxazol-3-yl)methanone

C17H23N3O2S — CID 110114432

IUPAC[4-methyl-4-(5-methyl-1,3-thiazol-2-yl)piperidin-1-yl]-(5-propyl-1,2-oxazol-3-yl)methanone
SMILESCCCc1cc(C(=O)N2CCC(C)(c3ncc(C)s3)CC2)no1
InChIInChI=1S/C17H23N3O2S/c1-4-5-13-10-14(19-22-13)15(21)20-8-6-17(3,7-9-20)16-18-11-12(2)23-16/h10-11H,4-9H2,1-3H3
InChIKeyDJYJUWDABMMFRU-UHFFFAOYSA-N
MW333.46 g/mol
LogP3.59
Rot. Bonds4

About [4-methyl-4-(5-methyl-1,3-thiazol-2-yl)piperidin-1-yl]-(5-propyl-1,2-oxazol-3-yl)methanone

[4-methyl-4-(5-methyl-1,3-thiazol-2-yl)piperidin-1-yl]-(5-propyl-1,2-oxazol-3-yl)methanone (PubChem CID 110114432) has the molecular formula C17H23N3O2S and a molecular weight of 333.46 g/mol. Its IUPAC name is [4-methyl-4-(5-methyl-1,3-thiazol-2-yl)piperidin-1-yl]-(5-propyl-1,2-oxazol-3-yl)methanone.

Molecular Properties

Compound Name[4-methyl-4-(5-methyl-1,3-thiazol-2-yl)piperidin-1-yl]-(5-propyl-1,2-oxazol-3-yl)methanone
PubChem CID110114432
Molecular FormulaC17H23N3O2S
Molecular Weight333.46 g/mol
Exact Mass333.15
IUPAC Name[4-methyl-4-(5-methyl-1,3-thiazol-2-yl)piperidin-1-yl]-(5-propyl-1,2-oxazol-3-yl)methanone
SMILESCCCc1cc(C(=O)N2CCC(C)(c3ncc(C)s3)CC2)no1
InChIInChI=1S/C17H23N3O2S/c1-4-5-13-10-14(19-22-13)15(21)20-8-6-17(3,7-9-20)16-18-11-12(2)23-16/h10-11H,4-9H2,1-3H3
InChIKeyDJYJUWDABMMFRU-UHFFFAOYSA-N
XLogP3.59
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.46
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [4-methyl-4-(5-methyl-1,3-thiazol-2-yl)piperidin-1-yl]-(5-propyl-1,2-oxazol-3-yl)methanone with MolForge

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

Launch Full Analysis

Related Compounds

[4-(5-chloro-1,3-thiazol-2-yl)-4-methylpiperidin-1-yl]-(5-propyl-1,2-oxazol-3-yl)methanone
CID 110114552
[4-(5-chloro-1,3-thiazol-2-yl)-4-methylpiperidin-1-yl]-(5-ethyl-1,2-oxazol-3-yl)methanone
CID 110114565
morpholin-4-yl-(5-propyl-1,2-oxazol-3-yl)methanone
CID 46246353
[4-methyl-4-(5-methyl-1,3-thiazol-2-yl)piperidin-1-yl]-(5-methylthiophen-2-yl)methanone
CID 175659264
[4-methyl-4-(5-methyl-1,3-thiazol-2-yl)piperidin-1-yl]-(4-methylthiophen-2-yl)methanone
CID 110114466
(4-methylpiperidin-1-yl)-(5-propyl-1,2-oxazol-3-yl)methanone
CID 22427573
(1-aminocyclopentyl)-[4-methyl-4-(5-methyl-1,3-thiazol-2-yl)piperidin-1-yl]methanone
CID 110114476
[4-methyl-4-(5-methyl-1,3-thiazol-2-yl)piperidin-1-yl]-thiophen-3-ylmethanone
CID 110114467
[4-methyl-4-(5-methyl-1,3-thiazol-2-yl)piperidin-1-yl]-(1-methylpyrrol-2-yl)methanone
CID 110114434
[(3S,4S)-3,4-bis(hydroxymethyl)pyrrolidin-1-yl]-(5-propyl-1,2-oxazol-3-yl)methanone
CID 70728444
[(2R)-2-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]-(5-propyl-1,2-oxazol-3-yl)methanone
CID 124953163
3-pentan-2-yl-8-(5-propyl-1,2-oxazole-3-carbonyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 70753407

Frequently Asked Questions

What is the IUPAC name of [4-methyl-4-(5-methyl-1,3-thiazol-2-yl)piperidin-1-yl]-(5-propyl-1,2-oxazol-3-yl)methanone?
The IUPAC name of [4-methyl-4-(5-methyl-1,3-thiazol-2-yl)piperidin-1-yl]-(5-propyl-1,2-oxazol-3-yl)methanone (CID 110114432) is [4-methyl-4-(5-methyl-1,3-thiazol-2-yl)piperidin-1-yl]-(5-propyl-1,2-oxazol-3-yl)methanone.
What is the SMILES notation for [4-methyl-4-(5-methyl-1,3-thiazol-2-yl)piperidin-1-yl]-(5-propyl-1,2-oxazol-3-yl)methanone?
The canonical SMILES for [4-methyl-4-(5-methyl-1,3-thiazol-2-yl)piperidin-1-yl]-(5-propyl-1,2-oxazol-3-yl)methanone is CCCc1cc(C(=O)N2CCC(C)(c3ncc(C)s3)CC2)no1.
What is the InChIKey of [4-methyl-4-(5-methyl-1,3-thiazol-2-yl)piperidin-1-yl]-(5-propyl-1,2-oxazol-3-yl)methanone?
The InChIKey is DJYJUWDABMMFRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O2S/c1-4-5-13-10-14(19-22-13)15(21)20-8-6-17(3,7-9-20)16-18-11-12(2)23-16/h10-11H,4-9H2,1-3H3.
What are the key properties of [4-methyl-4-(5-methyl-1,3-thiazol-2-yl)piperidin-1-yl]-(5-propyl-1,2-oxazol-3-yl)methanone?
[4-methyl-4-(5-methyl-1,3-thiazol-2-yl)piperidin-1-yl]-(5-propyl-1,2-oxazol-3-yl)methanone has a molecular weight of 333.46 g/mol, XLogP of 3.59, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-methyl-4-(5-methyl-1,3-thiazol-2-yl)piperidin-1-yl]-(5-propyl-1,2-oxazol-3-yl)methanone is sourced from PubChem (CID 110114432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).