1-[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)ethyl]-3-(1H-indazol-4-yl)-1-methylurea

C16H18N6O2 — CID 118773141

IUPAC1-[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)ethyl]-3-(1H-indazol-4-yl)-1-methylurea
SMILESCN(CCc1noc(C2CC2)n1)C(=O)Nc1cccc2[nH]ncc12
InChIInChI=1S/C16H18N6O2/c1-22(8-7-14-19-15(24-21-14)10-5-6-10)16(23)18-12-3-2-4-13-11(12)9-17-20-13/h2-4,9-10H,5-8H2,1H3,(H,17,20)(H,18,23)
InChIKeyZOOBJATUPUHPFM-UHFFFAOYSA-N
MW326.36 g/mol
LogP2.53
Rot. Bonds5

About 1-[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)ethyl]-3-(1H-indazol-4-yl)-1-methylurea

1-[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)ethyl]-3-(1H-indazol-4-yl)-1-methylurea (PubChem CID 118773141) has the molecular formula C16H18N6O2 and a molecular weight of 326.36 g/mol. Its IUPAC name is 1-[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)ethyl]-3-(1H-indazol-4-yl)-1-methylurea.

Molecular Properties

Compound Name1-[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)ethyl]-3-(1H-indazol-4-yl)-1-methylurea
PubChem CID118773141
Molecular FormulaC16H18N6O2
Molecular Weight326.36 g/mol
Exact Mass326.15
IUPAC Name1-[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)ethyl]-3-(1H-indazol-4-yl)-1-methylurea
SMILESCN(CCc1noc(C2CC2)n1)C(=O)Nc1cccc2[nH]ncc12
InChIInChI=1S/C16H18N6O2/c1-22(8-7-14-19-15(24-21-14)10-5-6-10)16(23)18-12-3-2-4-13-11(12)9-17-20-13/h2-4,9-10H,5-8H2,1H3,(H,17,20)(H,18,23)
InChIKeyZOOBJATUPUHPFM-UHFFFAOYSA-N
XLogP2.53
TPSA99.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.36
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)ethyl]-3-(1H-indazol-4-yl)-1-methylurea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)ethyl]-3-(1H-indazol-4-yl)-1-methylurea?
The IUPAC name of 1-[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)ethyl]-3-(1H-indazol-4-yl)-1-methylurea (CID 118773141) is 1-[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)ethyl]-3-(1H-indazol-4-yl)-1-methylurea.
What is the SMILES notation for 1-[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)ethyl]-3-(1H-indazol-4-yl)-1-methylurea?
The canonical SMILES for 1-[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)ethyl]-3-(1H-indazol-4-yl)-1-methylurea is CN(CCc1noc(C2CC2)n1)C(=O)Nc1cccc2[nH]ncc12.
What is the InChIKey of 1-[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)ethyl]-3-(1H-indazol-4-yl)-1-methylurea?
The InChIKey is ZOOBJATUPUHPFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N6O2/c1-22(8-7-14-19-15(24-21-14)10-5-6-10)16(23)18-12-3-2-4-13-11(12)9-17-20-13/h2-4,9-10H,5-8H2,1H3,(H,17,20)(H,18,23).
What are the key properties of 1-[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)ethyl]-3-(1H-indazol-4-yl)-1-methylurea?
1-[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)ethyl]-3-(1H-indazol-4-yl)-1-methylurea has a molecular weight of 326.36 g/mol, XLogP of 2.53, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)ethyl]-3-(1H-indazol-4-yl)-1-methylurea is sourced from PubChem (CID 118773141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).