5-[3-[2-(1-piperidin-4-yltriazol-4-yl)imidazol-1-yl]phenyl]-1,3-oxazole;hydrochloride

C19H20ClN7O — CID 154898642

IUPAC5-[3-[2-(1-piperidin-4-yltriazol-4-yl)imidazol-1-yl]phenyl]-1,3-oxazole;hydrochloride
SMILESCl.c1cc(-c2cnco2)cc(-n2ccnc2-c2cn(C3CCNCC3)nn2)c1
InChIInChI=1S/C19H19N7O.ClH/c1-2-14(18-11-21-13-27-18)10-16(3-1)25-9-8-22-19(25)17-12-26(24-23-17)15-4-6-20-7-5-15;/h1-3,8-13,15,20H,4-7H2;1H
InChIKeyNOSAAIVEMIBZSW-UHFFFAOYSA-N
MW397.87 g/mol
LogP3.13
Rot. Bonds4

About 5-[3-[2-(1-piperidin-4-yltriazol-4-yl)imidazol-1-yl]phenyl]-1,3-oxazole;hydrochloride

5-[3-[2-(1-piperidin-4-yltriazol-4-yl)imidazol-1-yl]phenyl]-1,3-oxazole;hydrochloride (PubChem CID 154898642) has the molecular formula C19H20ClN7O and a molecular weight of 397.87 g/mol. Its IUPAC name is 5-[3-[2-(1-piperidin-4-yltriazol-4-yl)imidazol-1-yl]phenyl]-1,3-oxazole;hydrochloride.

Molecular Properties

Compound Name5-[3-[2-(1-piperidin-4-yltriazol-4-yl)imidazol-1-yl]phenyl]-1,3-oxazole;hydrochloride
PubChem CID154898642
Molecular FormulaC19H20ClN7O
Molecular Weight397.87 g/mol
Exact Mass397.14
IUPAC Name5-[3-[2-(1-piperidin-4-yltriazol-4-yl)imidazol-1-yl]phenyl]-1,3-oxazole;hydrochloride
SMILESCl.c1cc(-c2cnco2)cc(-n2ccnc2-c2cn(C3CCNCC3)nn2)c1
InChIInChI=1S/C19H19N7O.ClH/c1-2-14(18-11-21-13-27-18)10-16(3-1)25-9-8-22-19(25)17-12-26(24-23-17)15-4-6-20-7-5-15;/h1-3,8-13,15,20H,4-7H2;1H
InChIKeyNOSAAIVEMIBZSW-UHFFFAOYSA-N
XLogP3.13
TPSA86.59 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.87
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-[3-[2-(1-piperidin-4-yltriazol-4-yl)imidazol-1-yl]phenyl]-1,3-oxazole;hydrochloride?
The IUPAC name of 5-[3-[2-(1-piperidin-4-yltriazol-4-yl)imidazol-1-yl]phenyl]-1,3-oxazole;hydrochloride (CID 154898642) is 5-[3-[2-(1-piperidin-4-yltriazol-4-yl)imidazol-1-yl]phenyl]-1,3-oxazole;hydrochloride.
What is the SMILES notation for 5-[3-[2-(1-piperidin-4-yltriazol-4-yl)imidazol-1-yl]phenyl]-1,3-oxazole;hydrochloride?
The canonical SMILES for 5-[3-[2-(1-piperidin-4-yltriazol-4-yl)imidazol-1-yl]phenyl]-1,3-oxazole;hydrochloride is Cl.c1cc(-c2cnco2)cc(-n2ccnc2-c2cn(C3CCNCC3)nn2)c1.
What is the InChIKey of 5-[3-[2-(1-piperidin-4-yltriazol-4-yl)imidazol-1-yl]phenyl]-1,3-oxazole;hydrochloride?
The InChIKey is NOSAAIVEMIBZSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N7O.ClH/c1-2-14(18-11-21-13-27-18)10-16(3-1)25-9-8-22-19(25)17-12-26(24-23-17)15-4-6-20-7-5-15;/h1-3,8-13,15,20H,4-7H2;1H.
What are the key properties of 5-[3-[2-(1-piperidin-4-yltriazol-4-yl)imidazol-1-yl]phenyl]-1,3-oxazole;hydrochloride?
5-[3-[2-(1-piperidin-4-yltriazol-4-yl)imidazol-1-yl]phenyl]-1,3-oxazole;hydrochloride has a molecular weight of 397.87 g/mol, XLogP of 3.13, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-[2-(1-piperidin-4-yltriazol-4-yl)imidazol-1-yl]phenyl]-1,3-oxazole;hydrochloride is sourced from PubChem (CID 154898642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).