5-(2-chlorophenyl)-N-(5-piperidin-4-yl-1,3-thiazol-2-yl)-1,3-oxazole-4-carboxamide;hydrochloride

C18H18Cl2N4O2S — CID 120998124

IUPAC5-(2-chlorophenyl)-N-(5-piperidin-4-yl-1,3-thiazol-2-yl)-1,3-oxazole-4-carboxamide;hydrochloride
SMILESCl.O=C(Nc1ncc(C2CCNCC2)s1)c1ncoc1-c1ccccc1Cl
InChIInChI=1S/C18H17ClN4O2S.ClH/c19-13-4-2-1-3-12(13)16-15(22-10-25-16)17(24)23-18-21-9-14(26-18)11-5-7-20-8-6-11;/h1-4,9-11,20H,5-8H2,(H,21,23,24);1H
InChIKeyQBSMSNKRARIDEU-UHFFFAOYSA-N
MW425.34 g/mol
LogP4.59
Rot. Bonds4

About 5-(2-chlorophenyl)-N-(5-piperidin-4-yl-1,3-thiazol-2-yl)-1,3-oxazole-4-carboxamide;hydrochloride

5-(2-chlorophenyl)-N-(5-piperidin-4-yl-1,3-thiazol-2-yl)-1,3-oxazole-4-carboxamide;hydrochloride (PubChem CID 120998124) has the molecular formula C18H18Cl2N4O2S and a molecular weight of 425.34 g/mol. Its IUPAC name is 5-(2-chlorophenyl)-N-(5-piperidin-4-yl-1,3-thiazol-2-yl)-1,3-oxazole-4-carboxamide;hydrochloride.

Molecular Properties

Compound Name5-(2-chlorophenyl)-N-(5-piperidin-4-yl-1,3-thiazol-2-yl)-1,3-oxazole-4-carboxamide;hydrochloride
PubChem CID120998124
Molecular FormulaC18H18Cl2N4O2S
Molecular Weight425.34 g/mol
Exact Mass424.05
IUPAC Name5-(2-chlorophenyl)-N-(5-piperidin-4-yl-1,3-thiazol-2-yl)-1,3-oxazole-4-carboxamide;hydrochloride
SMILESCl.O=C(Nc1ncc(C2CCNCC2)s1)c1ncoc1-c1ccccc1Cl
InChIInChI=1S/C18H17ClN4O2S.ClH/c19-13-4-2-1-3-12(13)16-15(22-10-25-16)17(24)23-18-21-9-14(26-18)11-5-7-20-8-6-11;/h1-4,9-11,20H,5-8H2,(H,21,23,24);1H
InChIKeyQBSMSNKRARIDEU-UHFFFAOYSA-N
XLogP4.59
TPSA80.05 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.34
LogP ≤ 54.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(2-chlorophenyl)-N-(5-piperidin-4-yl-1,3-thiazol-2-yl)-1,3-oxazole-4-carboxamide;hydrochloride?
The IUPAC name of 5-(2-chlorophenyl)-N-(5-piperidin-4-yl-1,3-thiazol-2-yl)-1,3-oxazole-4-carboxamide;hydrochloride (CID 120998124) is 5-(2-chlorophenyl)-N-(5-piperidin-4-yl-1,3-thiazol-2-yl)-1,3-oxazole-4-carboxamide;hydrochloride.
What is the SMILES notation for 5-(2-chlorophenyl)-N-(5-piperidin-4-yl-1,3-thiazol-2-yl)-1,3-oxazole-4-carboxamide;hydrochloride?
The canonical SMILES for 5-(2-chlorophenyl)-N-(5-piperidin-4-yl-1,3-thiazol-2-yl)-1,3-oxazole-4-carboxamide;hydrochloride is Cl.O=C(Nc1ncc(C2CCNCC2)s1)c1ncoc1-c1ccccc1Cl.
What is the InChIKey of 5-(2-chlorophenyl)-N-(5-piperidin-4-yl-1,3-thiazol-2-yl)-1,3-oxazole-4-carboxamide;hydrochloride?
The InChIKey is QBSMSNKRARIDEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN4O2S.ClH/c19-13-4-2-1-3-12(13)16-15(22-10-25-16)17(24)23-18-21-9-14(26-18)11-5-7-20-8-6-11;/h1-4,9-11,20H,5-8H2,(H,21,23,24);1H.
What are the key properties of 5-(2-chlorophenyl)-N-(5-piperidin-4-yl-1,3-thiazol-2-yl)-1,3-oxazole-4-carboxamide;hydrochloride?
5-(2-chlorophenyl)-N-(5-piperidin-4-yl-1,3-thiazol-2-yl)-1,3-oxazole-4-carboxamide;hydrochloride has a molecular weight of 425.34 g/mol, XLogP of 4.59, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-chlorophenyl)-N-(5-piperidin-4-yl-1,3-thiazol-2-yl)-1,3-oxazole-4-carboxamide;hydrochloride is sourced from PubChem (CID 120998124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).