[3-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]phenyl]urea;hydrochloride

C14H19ClN6O2 — CID 120957411

IUPAC[3-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]phenyl]urea;hydrochloride
SMILESCN1CCNCC1c1noc(-c2cccc(NC(N)=O)c2)n1.Cl
InChIInChI=1S/C14H18N6O2.ClH/c1-20-6-5-16-8-11(20)12-18-13(22-19-12)9-3-2-4-10(7-9)17-14(15)21;/h2-4,7,11,16H,5-6,8H2,1H3,(H3,15,17,21);1H
InChIKeyNMCUEVSJPMZSKY-UHFFFAOYSA-N
MW338.80 g/mol
LogP1.23
Rot. Bonds3

About [3-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]phenyl]urea;hydrochloride

[3-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]phenyl]urea;hydrochloride (PubChem CID 120957411) has the molecular formula C14H19ClN6O2 and a molecular weight of 338.80 g/mol. Its IUPAC name is [3-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]phenyl]urea;hydrochloride.

Molecular Properties

Compound Name[3-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]phenyl]urea;hydrochloride
PubChem CID120957411
Molecular FormulaC14H19ClN6O2
Molecular Weight338.80 g/mol
Exact Mass338.13
IUPAC Name[3-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]phenyl]urea;hydrochloride
SMILESCN1CCNCC1c1noc(-c2cccc(NC(N)=O)c2)n1.Cl
InChIInChI=1S/C14H18N6O2.ClH/c1-20-6-5-16-8-11(20)12-18-13(22-19-12)9-3-2-4-10(7-9)17-14(15)21;/h2-4,7,11,16H,5-6,8H2,1H3,(H3,15,17,21);1H
InChIKeyNMCUEVSJPMZSKY-UHFFFAOYSA-N
XLogP1.23
TPSA109.31 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.80
LogP ≤ 51.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

1,1-dimethyl-3-[3-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]phenyl]urea
CID 120958743
3-imidazol-1-yl-N-[3-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]phenyl]propanamide;hydrochloride
CID 120960998
N-methyl-3-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]benzamide
CID 120956116
[4-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]phenyl]methylurea
CID 120960485
N-[4-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]phenyl]cyclopropanecarboxamide
CID 120955970
N-ethyl-N-methyl-3-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]benzamide
CID 120960889
2-fluoro-N-[2-methyl-5-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]phenyl]benzamide;hydrochloride
CID 120960370
2-[2-methoxy-4-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]phenoxy]acetamide;hydrochloride
CID 120958852
3-(1-methylpiperazin-2-yl)-5-[3-(1,3-thiazol-4-yl)phenyl]-1,2,4-oxadiazole;hydrochloride
CID 120961460
1-[3-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]phenyl]pyrrolidin-2-one;hydrochloride
CID 120960456
5-(1,3-dihydro-2-benzofuran-5-yl)-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole;hydrochloride
CID 120961614
N-[2-fluoro-4-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]phenyl]-3-methylbutanamide
CID 120961469

Frequently Asked Questions

What is the IUPAC name of [3-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]phenyl]urea;hydrochloride?
The IUPAC name of [3-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]phenyl]urea;hydrochloride (CID 120957411) is [3-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]phenyl]urea;hydrochloride.
What is the SMILES notation for [3-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]phenyl]urea;hydrochloride?
The canonical SMILES for [3-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]phenyl]urea;hydrochloride is CN1CCNCC1c1noc(-c2cccc(NC(N)=O)c2)n1.Cl.
What is the InChIKey of [3-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]phenyl]urea;hydrochloride?
The InChIKey is NMCUEVSJPMZSKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N6O2.ClH/c1-20-6-5-16-8-11(20)12-18-13(22-19-12)9-3-2-4-10(7-9)17-14(15)21;/h2-4,7,11,16H,5-6,8H2,1H3,(H3,15,17,21);1H.
What are the key properties of [3-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]phenyl]urea;hydrochloride?
[3-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]phenyl]urea;hydrochloride has a molecular weight of 338.80 g/mol, XLogP of 1.23, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]phenyl]urea;hydrochloride is sourced from PubChem (CID 120957411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).