1-[1-(4-hydroxyphenoxy)ethyl]-3-(1H-indazol-6-yl)urea

C16H16N4O3 — CID 108871152

IUPAC1-[1-(4-hydroxyphenoxy)ethyl]-3-(1H-indazol-6-yl)urea
SMILESCC(NC(=O)Nc1ccc2cn[nH]c2c1)Oc1ccc(O)cc1
InChIInChI=1S/C16H16N4O3/c1-10(23-14-6-4-13(21)5-7-14)18-16(22)19-12-3-2-11-9-17-20-15(11)8-12/h2-10,21H,1H3,(H,17,20)(H2,18,19,22)
InChIKeySIIQDACDTDWPIY-UHFFFAOYSA-N
MW312.33 g/mol
LogP2.82
Rot. Bonds4

About 1-[1-(4-hydroxyphenoxy)ethyl]-3-(1H-indazol-6-yl)urea

1-[1-(4-hydroxyphenoxy)ethyl]-3-(1H-indazol-6-yl)urea (PubChem CID 108871152) has the molecular formula C16H16N4O3 and a molecular weight of 312.33 g/mol. Its IUPAC name is 1-[1-(4-hydroxyphenoxy)ethyl]-3-(1H-indazol-6-yl)urea.

Molecular Properties

Compound Name1-[1-(4-hydroxyphenoxy)ethyl]-3-(1H-indazol-6-yl)urea
PubChem CID108871152
Molecular FormulaC16H16N4O3
Molecular Weight312.33 g/mol
Exact Mass312.12
IUPAC Name1-[1-(4-hydroxyphenoxy)ethyl]-3-(1H-indazol-6-yl)urea
SMILESCC(NC(=O)Nc1ccc2cn[nH]c2c1)Oc1ccc(O)cc1
InChIInChI=1S/C16H16N4O3/c1-10(23-14-6-4-13(21)5-7-14)18-16(22)19-12-3-2-11-9-17-20-15(11)8-12/h2-10,21H,1H3,(H,17,20)(H2,18,19,22)
InChIKeySIIQDACDTDWPIY-UHFFFAOYSA-N
XLogP2.82
TPSA99.27 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.33
LogP ≤ 52.82
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1-(1H-indazol-6-yl)-3-(4-methoxyphenyl)urea
CID 108866360
1-(1H-indazol-6-yl)-3-(4-methylphenyl)urea
CID 4256141
1-(3-bromophenyl)-3-[1-(4-hydroxyphenoxy)ethyl]urea
CID 108871145
ethyl [4-(1H-indazol-6-ylcarbamoylamino)phenyl] carbonate
CID 108865659
1-(1H-indazol-6-yl)-3-(5-methyl-1,2-oxazol-3-yl)urea
CID 108812161
1-(4-bromophenyl)-3-(1H-indazol-6-yl)urea
CID 108869291
1-[1-(4-hydroxyphenoxy)ethyl]-3-methylurea
CID 108871109
1-(cyanomethyl)-3-(1H-indazol-6-yl)urea
CID 108864826
1-(1,3-dioxo-2-propan-2-ylisoindol-5-yl)-3-(1H-indazol-6-yl)urea
CID 108872270
N'-(1H-indazol-6-yl)-N-(2-methylpropyl)oxamide
CID 108504895
1-(furan-2-yl)-3-(1H-indazol-6-yl)urea
CID 108868544
1-(1H-indazol-6-yl)-3-[4-(trifluoromethyl)phenyl]urea
CID 108896278

Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-hydroxyphenoxy)ethyl]-3-(1H-indazol-6-yl)urea?
The IUPAC name of 1-[1-(4-hydroxyphenoxy)ethyl]-3-(1H-indazol-6-yl)urea (CID 108871152) is 1-[1-(4-hydroxyphenoxy)ethyl]-3-(1H-indazol-6-yl)urea.
What is the SMILES notation for 1-[1-(4-hydroxyphenoxy)ethyl]-3-(1H-indazol-6-yl)urea?
The canonical SMILES for 1-[1-(4-hydroxyphenoxy)ethyl]-3-(1H-indazol-6-yl)urea is CC(NC(=O)Nc1ccc2cn[nH]c2c1)Oc1ccc(O)cc1.
What is the InChIKey of 1-[1-(4-hydroxyphenoxy)ethyl]-3-(1H-indazol-6-yl)urea?
The InChIKey is SIIQDACDTDWPIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O3/c1-10(23-14-6-4-13(21)5-7-14)18-16(22)19-12-3-2-11-9-17-20-15(11)8-12/h2-10,21H,1H3,(H,17,20)(H2,18,19,22).
What are the key properties of 1-[1-(4-hydroxyphenoxy)ethyl]-3-(1H-indazol-6-yl)urea?
1-[1-(4-hydroxyphenoxy)ethyl]-3-(1H-indazol-6-yl)urea has a molecular weight of 312.33 g/mol, XLogP of 2.82, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-hydroxyphenoxy)ethyl]-3-(1H-indazol-6-yl)urea is sourced from PubChem (CID 108871152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).