4-(1-methylindazol-3-yl)-2-phenyl-1,3-oxazole

C17H13N3O — CID 139216519

IUPAC4-(1-methylindazol-3-yl)-2-phenyl-1,3-oxazole
SMILESCn1nc(-c2coc(-c3ccccc3)n2)c2ccccc21
InChIInChI=1S/C17H13N3O/c1-20-15-10-6-5-9-13(15)16(19-20)14-11-21-17(18-14)12-7-3-2-4-8-12/h2-11H,1H3
InChIKeyTTWITLZUPVYVEV-UHFFFAOYSA-N
MW275.31 g/mol
LogP3.90
Rot. Bonds2

About 4-(1-methylindazol-3-yl)-2-phenyl-1,3-oxazole

4-(1-methylindazol-3-yl)-2-phenyl-1,3-oxazole (PubChem CID 139216519) has the molecular formula C17H13N3O and a molecular weight of 275.31 g/mol. Its IUPAC name is 4-(1-methylindazol-3-yl)-2-phenyl-1,3-oxazole.

Molecular Properties

Compound Name4-(1-methylindazol-3-yl)-2-phenyl-1,3-oxazole
PubChem CID139216519
Molecular FormulaC17H13N3O
Molecular Weight275.31 g/mol
Exact Mass275.11
IUPAC Name4-(1-methylindazol-3-yl)-2-phenyl-1,3-oxazole
SMILESCn1nc(-c2coc(-c3ccccc3)n2)c2ccccc21
InChIInChI=1S/C17H13N3O/c1-20-15-10-6-5-9-13(15)16(19-20)14-11-21-17(18-14)12-7-3-2-4-8-12/h2-11H,1H3
InChIKeyTTWITLZUPVYVEV-UHFFFAOYSA-N
XLogP3.90
TPSA43.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(1-methylindazol-3-yl)-2-phenyl-1,3-oxazole?
The IUPAC name of 4-(1-methylindazol-3-yl)-2-phenyl-1,3-oxazole (CID 139216519) is 4-(1-methylindazol-3-yl)-2-phenyl-1,3-oxazole.
What is the SMILES notation for 4-(1-methylindazol-3-yl)-2-phenyl-1,3-oxazole?
The canonical SMILES for 4-(1-methylindazol-3-yl)-2-phenyl-1,3-oxazole is Cn1nc(-c2coc(-c3ccccc3)n2)c2ccccc21.
What is the InChIKey of 4-(1-methylindazol-3-yl)-2-phenyl-1,3-oxazole?
The InChIKey is TTWITLZUPVYVEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N3O/c1-20-15-10-6-5-9-13(15)16(19-20)14-11-21-17(18-14)12-7-3-2-4-8-12/h2-11H,1H3.
What are the key properties of 4-(1-methylindazol-3-yl)-2-phenyl-1,3-oxazole?
4-(1-methylindazol-3-yl)-2-phenyl-1,3-oxazole has a molecular weight of 275.31 g/mol, XLogP of 3.90, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-methylindazol-3-yl)-2-phenyl-1,3-oxazole is sourced from PubChem (CID 139216519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).