[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]-[4-(methylaminomethyl)piperidin-1-yl]methanone

C15H18ClN3O2S — CID 119543271

IUPAC[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]-[4-(methylaminomethyl)piperidin-1-yl]methanone
SMILESCNCC1CCN(C(=O)c2cc(-c3ccc(Cl)s3)on2)CC1
InChIInChI=1S/C15H18ClN3O2S/c1-17-9-10-4-6-19(7-5-10)15(20)11-8-12(21-18-11)13-2-3-14(16)22-13/h2-3,8,10,17H,4-7,9H2,1H3
InChIKeyHUGRTTPNGAEOTK-UHFFFAOYSA-N
MW339.85 g/mol
LogP3.13
Rot. Bonds4

About [5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]-[4-(methylaminomethyl)piperidin-1-yl]methanone

[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]-[4-(methylaminomethyl)piperidin-1-yl]methanone (PubChem CID 119543271) has the molecular formula C15H18ClN3O2S and a molecular weight of 339.85 g/mol. Its IUPAC name is [5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]-[4-(methylaminomethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]-[4-(methylaminomethyl)piperidin-1-yl]methanone
PubChem CID119543271
Molecular FormulaC15H18ClN3O2S
Molecular Weight339.85 g/mol
Exact Mass339.08
IUPAC Name[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]-[4-(methylaminomethyl)piperidin-1-yl]methanone
SMILESCNCC1CCN(C(=O)c2cc(-c3ccc(Cl)s3)on2)CC1
InChIInChI=1S/C15H18ClN3O2S/c1-17-9-10-4-6-19(7-5-10)15(20)11-8-12(21-18-11)13-2-3-14(16)22-13/h2-3,8,10,17H,4-7,9H2,1H3
InChIKeyHUGRTTPNGAEOTK-UHFFFAOYSA-N
XLogP3.13
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.85
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]-[4-(methylaminomethyl)piperidin-1-yl]methanone with MolForge

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Related Compounds

(3R)-1-[5-(5-chlorothiophen-2-yl)-1,2-oxazole-3-carbonyl]pyrrolidine-3-carboxylic acid
CID 129397533
[5-[(2,6-dichlorophenoxy)methyl]-1,2-oxazol-3-yl]-[4-(methylaminomethyl)piperidin-1-yl]methanone;hydrochloride
CID 119547133
[4-(methylaminomethyl)piperidin-1-yl]-(1,2-oxazol-3-yl)methanone;hydrochloride
CID 119543358
[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 75403236
[4-(ethylaminomethyl)piperidin-1-yl]-(5-pyridin-4-yl-1,2-oxazol-3-yl)methanone
CID 119648082
(5-chlorothiophen-2-yl)-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone;hydrochloride
CID 119542062
[4-(methylaminomethyl)piperidin-1-yl]-(2-thiophen-2-yl-1,3-thiazol-4-yl)methanone
CID 119546783
[5-(4-chlorophenyl)-1,2-oxazol-3-yl]-[4-(methylamino)piperidin-1-yl]methanone
CID 119562656
[4-(methylaminomethyl)piperidin-1-yl]-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]methanone;hydrochloride
CID 119546890
5-(5-chlorothiophen-2-yl)-N-(pyrrolidin-2-ylmethyl)-1,2-oxazole-3-carboxamide
CID 119510511
(3-chlorophenyl)-[4-(methylaminomethyl)piperidin-1-yl]methanone
CID 63248550
[4-(methylaminomethyl)piperidin-1-yl]-(2-phenyl-1,3-thiazol-4-yl)methanone
CID 119546686

Frequently Asked Questions

What is the IUPAC name of [5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]-[4-(methylaminomethyl)piperidin-1-yl]methanone?
The IUPAC name of [5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]-[4-(methylaminomethyl)piperidin-1-yl]methanone (CID 119543271) is [5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]-[4-(methylaminomethyl)piperidin-1-yl]methanone.
What is the SMILES notation for [5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]-[4-(methylaminomethyl)piperidin-1-yl]methanone?
The canonical SMILES for [5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]-[4-(methylaminomethyl)piperidin-1-yl]methanone is CNCC1CCN(C(=O)c2cc(-c3ccc(Cl)s3)on2)CC1.
What is the InChIKey of [5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]-[4-(methylaminomethyl)piperidin-1-yl]methanone?
The InChIKey is HUGRTTPNGAEOTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN3O2S/c1-17-9-10-4-6-19(7-5-10)15(20)11-8-12(21-18-11)13-2-3-14(16)22-13/h2-3,8,10,17H,4-7,9H2,1H3.
What are the key properties of [5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]-[4-(methylaminomethyl)piperidin-1-yl]methanone?
[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]-[4-(methylaminomethyl)piperidin-1-yl]methanone has a molecular weight of 339.85 g/mol, XLogP of 3.13, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]-[4-(methylaminomethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 119543271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).