1-[4-(4-methylpiperazin-1-yl)phenyl]-3-(1,2-oxazol-5-yl)urea

C15H19N5O2 — CID 108814112

IUPAC1-[4-(4-methylpiperazin-1-yl)phenyl]-3-(1,2-oxazol-5-yl)urea
SMILESCN1CCN(c2ccc(NC(=O)Nc3ccno3)cc2)CC1
InChIInChI=1S/C15H19N5O2/c1-19-8-10-20(11-9-19)13-4-2-12(3-5-13)17-15(21)18-14-6-7-16-22-14/h2-7H,8-11H2,1H3,(H2,17,18,21)
InChIKeyIDDFSURUBILTPT-UHFFFAOYSA-N
MW301.35 g/mol
LogP2.07
Rot. Bonds3

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

1-[4-(4-methylpiperazin-1-yl)phenyl]-3-(1,2-oxazol-5-yl)urea (PubChem CID 108814112) has the molecular formula C15H19N5O2 and a molecular weight of 301.35 g/mol. Its IUPAC name is 1-[4-(4-methylpiperazin-1-yl)phenyl]-3-(1,2-oxazol-5-yl)urea.

Molecular Properties

Compound Name1-[4-(4-methylpiperazin-1-yl)phenyl]-3-(1,2-oxazol-5-yl)urea
PubChem CID108814112
Molecular FormulaC15H19N5O2
Molecular Weight301.35 g/mol
Exact Mass301.15
IUPAC Name1-[4-(4-methylpiperazin-1-yl)phenyl]-3-(1,2-oxazol-5-yl)urea
SMILESCN1CCN(c2ccc(NC(=O)Nc3ccno3)cc2)CC1
InChIInChI=1S/C15H19N5O2/c1-19-8-10-20(11-9-19)13-4-2-12(3-5-13)17-15(21)18-14-6-7-16-22-14/h2-7H,8-11H2,1H3,(H2,17,18,21)
InChIKeyIDDFSURUBILTPT-UHFFFAOYSA-N
XLogP2.07
TPSA73.64 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

1-[4-(4-methylpiperazin-1-yl)phenyl]-3-pyridin-3-ylurea
CID 48759640
1-(4-acetylphenyl)-3-[4-(4-methylpiperazin-1-yl)phenyl]urea
CID 108992269
1-(4-tert-butylphenyl)-3-[4-(4-methylpiperazin-1-yl)phenyl]urea
CID 58441741
1-amino-3-[4-(4-methylpiperazin-1-yl)phenyl]urea
CID 2768327
1-(2,6-dimethylphenyl)-3-[4-(4-methylpiperazin-1-yl)phenyl]urea
CID 108991406
1-[4-(4-methylpiperazin-1-yl)phenyl]-3-(pyridin-4-ylmethyl)urea
CID 110706378
1-(3,4-dimethoxyphenyl)-3-[4-(4-methylpiperazin-1-yl)phenyl]urea
CID 108866230
N-[4-(4-methylpiperazin-1-yl)phenyl]pyridine-4-carboxamide;hydrochloride
CID 110756617
2-hydroxy-N-[4-(4-methylpiperazin-1-yl)phenyl]acetamide
CID 83768240
1-[4-(4-methylpiperazin-1-yl)phenyl]-3-(3-oxobutyl)urea
CID 108895148
1-(3-methoxyphenyl)-3-[4-(4-methylpiperazin-1-yl)phenyl]urea
CID 48740743
1-[4-(4-methylpiperazin-1-yl)phenyl]-3-[4-(1H-pyrrol-2-yl)phenyl]urea
CID 141420973

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-methylpiperazin-1-yl)phenyl]-3-(1,2-oxazol-5-yl)urea?
The IUPAC name of 1-[4-(4-methylpiperazin-1-yl)phenyl]-3-(1,2-oxazol-5-yl)urea (CID 108814112) is 1-[4-(4-methylpiperazin-1-yl)phenyl]-3-(1,2-oxazol-5-yl)urea.
What is the SMILES notation for 1-[4-(4-methylpiperazin-1-yl)phenyl]-3-(1,2-oxazol-5-yl)urea?
The canonical SMILES for 1-[4-(4-methylpiperazin-1-yl)phenyl]-3-(1,2-oxazol-5-yl)urea is CN1CCN(c2ccc(NC(=O)Nc3ccno3)cc2)CC1.
What is the InChIKey of 1-[4-(4-methylpiperazin-1-yl)phenyl]-3-(1,2-oxazol-5-yl)urea?
The InChIKey is IDDFSURUBILTPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5O2/c1-19-8-10-20(11-9-19)13-4-2-12(3-5-13)17-15(21)18-14-6-7-16-22-14/h2-7H,8-11H2,1H3,(H2,17,18,21).
What are the key properties of 1-[4-(4-methylpiperazin-1-yl)phenyl]-3-(1,2-oxazol-5-yl)urea?
1-[4-(4-methylpiperazin-1-yl)phenyl]-3-(1,2-oxazol-5-yl)urea has a molecular weight of 301.35 g/mol, XLogP of 2.07, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-methylpiperazin-1-yl)phenyl]-3-(1,2-oxazol-5-yl)urea is sourced from PubChem (CID 108814112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).