[4-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]phenyl]methylurea

C15H20N6O2 — CID 120960485

IUPAC[4-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]phenyl]methylurea
SMILESCN1CCNCC1c1noc(-c2ccc(CNC(N)=O)cc2)n1
InChIInChI=1S/C15H20N6O2/c1-21-7-6-17-9-12(21)13-19-14(23-20-13)11-4-2-10(3-5-11)8-18-15(16)22/h2-5,12,17H,6-9H2,1H3,(H3,16,18,22)
InChIKeyUAAHVPNCCLMDDG-UHFFFAOYSA-N
MW316.37 g/mol
LogP0.48
Rot. Bonds4

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

[4-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]phenyl]methylurea (PubChem CID 120960485) has the molecular formula C15H20N6O2 and a molecular weight of 316.37 g/mol. Its IUPAC name is [4-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]phenyl]methylurea.

Molecular Properties

Compound Name[4-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]phenyl]methylurea
PubChem CID120960485
Molecular FormulaC15H20N6O2
Molecular Weight316.37 g/mol
Exact Mass316.16
IUPAC Name[4-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]phenyl]methylurea
SMILESCN1CCNCC1c1noc(-c2ccc(CNC(N)=O)cc2)n1
InChIInChI=1S/C15H20N6O2/c1-21-7-6-17-9-12(21)13-19-14(23-20-13)11-4-2-10(3-5-11)8-18-15(16)22/h2-5,12,17H,6-9H2,1H3,(H3,16,18,22)
InChIKeyUAAHVPNCCLMDDG-UHFFFAOYSA-N
XLogP0.48
TPSA109.31 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.37
LogP ≤ 50.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze [4-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]phenyl]methylurea 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

3-(1-methylpiperazin-2-yl)-5-(4-propylphenyl)-1,2,4-oxadiazole;hydrochloride
CID 120957261
3-(1-methylpiperazin-2-yl)-5-[4-(methylsulfanylmethyl)phenyl]-1,2,4-oxadiazole;hydrochloride
CID 120955943
5-(4-iodophenyl)-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole
CID 120957632
5-(4-bromophenyl)-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole
CID 120957626
[3-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]phenyl]urea;hydrochloride
CID 120957411
N-[4-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]phenyl]cyclopropanecarboxamide
CID 120955970
N-tert-butyl-4-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]benzenesulfonamide
CID 120960291
N-methyl-3-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]benzamide
CID 120956116
N-(2-methoxyethyl)-4-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]benzenesulfonamide;hydrochloride
CID 120960268
2-[2-methoxy-4-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]phenoxy]acetamide;hydrochloride
CID 120958852
5-[4-(4-fluorophenyl)-1H-pyrrol-3-yl]-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole;hydrochloride
CID 137154559
3-(1-methylpiperazin-2-yl)-5-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,2,4-oxadiazole
CID 120958353

Frequently Asked Questions

What is the IUPAC name of [4-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]phenyl]methylurea?
The IUPAC name of [4-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]phenyl]methylurea (CID 120960485) is [4-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]phenyl]methylurea.
What is the SMILES notation for [4-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]phenyl]methylurea?
The canonical SMILES for [4-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]phenyl]methylurea is CN1CCNCC1c1noc(-c2ccc(CNC(N)=O)cc2)n1.
What is the InChIKey of [4-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]phenyl]methylurea?
The InChIKey is UAAHVPNCCLMDDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N6O2/c1-21-7-6-17-9-12(21)13-19-14(23-20-13)11-4-2-10(3-5-11)8-18-15(16)22/h2-5,12,17H,6-9H2,1H3,(H3,16,18,22).
What are the key properties of [4-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]phenyl]methylurea?
[4-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]phenyl]methylurea has a molecular weight of 316.37 g/mol, XLogP of 0.48, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]phenyl]methylurea is sourced from PubChem (CID 120960485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).