3-(3-methylpyrazolo[1,5-f]phenanthridin-8-yl)-1,2-oxazole

C19H13N3O — CID 59358667

IUPAC3-(3-methylpyrazolo[1,5-f]phenanthridin-8-yl)-1,2-oxazole
SMILESCc1cnn2c3cccc(-c4ccon4)c3c3ccccc3c12
InChIInChI=1S/C19H13N3O/c1-12-11-20-22-17-8-4-7-15(16-9-10-23-21-16)18(17)13-5-2-3-6-14(13)19(12)22/h2-11H,1H3
InChIKeyDDBOMWXCNNOHGT-UHFFFAOYSA-N
MW299.33 g/mol
LogP4.60
Rot. Bonds1

About 3-(3-methylpyrazolo[1,5-f]phenanthridin-8-yl)-1,2-oxazole

3-(3-methylpyrazolo[1,5-f]phenanthridin-8-yl)-1,2-oxazole (PubChem CID 59358667) has the molecular formula C19H13N3O and a molecular weight of 299.33 g/mol. Its IUPAC name is 3-(3-methylpyrazolo[1,5-f]phenanthridin-8-yl)-1,2-oxazole.

Molecular Properties

Compound Name3-(3-methylpyrazolo[1,5-f]phenanthridin-8-yl)-1,2-oxazole
PubChem CID59358667
Molecular FormulaC19H13N3O
Molecular Weight299.33 g/mol
Exact Mass299.11
IUPAC Name3-(3-methylpyrazolo[1,5-f]phenanthridin-8-yl)-1,2-oxazole
SMILESCc1cnn2c3cccc(-c4ccon4)c3c3ccccc3c12
InChIInChI=1S/C19H13N3O/c1-12-11-20-22-17-8-4-7-15(16-9-10-23-21-16)18(17)13-5-2-3-6-14(13)19(12)22/h2-11H,1H3
InChIKeyDDBOMWXCNNOHGT-UHFFFAOYSA-N
XLogP4.60
TPSA43.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.33
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

3,7-dimethylpyrazolo[1,5-a]pyridine
CID 142528331
6-[1-(2-methylphenyl)-1,2,4-triazol-3-yl]-1,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-2,4,6,8,10,12,14,16,18,20-decaene
CID 59359341
8-(2,4-dimethylphenyl)-2-methylpyrazolo[1,5-f]phenanthridine
CID 59359208
5-bromo-1-methyl-6-phenylmethoxypyrazolo[5,1-a]isoquinoline
CID 177154178
1-azahexacyclo[10.9.1.113,17.02,7.08,22.021,23]tricosa-2,4,6,8(22),9,11,13,15,17(23),18,20-undecaene;ethane
CID 167576917
3-(2-benzofuran-1-yl)-1,2-oxazole
CID 174521041
CID 176917271
CID 176917271
1-[4-(2-methylphenyl)phenyl]-9-phenylcarbazole
CID 146397378
3-methyl-7-(4-methylphenyl)pyrazolo[1,5-a]pyridine
CID 170974550
25-methyl-20-azaheptacyclo[18.10.1.02,7.08,13.014,19.021,26.027,31]hentriaconta-1(31),2,4,6,8,10,12,14,16,18,21,23,25,27,29-pentadecaene
CID 168811096
9-[4,6-bis(1-methylcarbazol-9-yl)-1,3,5-triazin-2-yl]-1-methylcarbazole
CID 23399530
9-methyl-1-quinolin-2-ylcarbazole
CID 140671194

Frequently Asked Questions

What is the IUPAC name of 3-(3-methylpyrazolo[1,5-f]phenanthridin-8-yl)-1,2-oxazole?
The IUPAC name of 3-(3-methylpyrazolo[1,5-f]phenanthridin-8-yl)-1,2-oxazole (CID 59358667) is 3-(3-methylpyrazolo[1,5-f]phenanthridin-8-yl)-1,2-oxazole.
What is the SMILES notation for 3-(3-methylpyrazolo[1,5-f]phenanthridin-8-yl)-1,2-oxazole?
The canonical SMILES for 3-(3-methylpyrazolo[1,5-f]phenanthridin-8-yl)-1,2-oxazole is Cc1cnn2c3cccc(-c4ccon4)c3c3ccccc3c12.
What is the InChIKey of 3-(3-methylpyrazolo[1,5-f]phenanthridin-8-yl)-1,2-oxazole?
The InChIKey is DDBOMWXCNNOHGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13N3O/c1-12-11-20-22-17-8-4-7-15(16-9-10-23-21-16)18(17)13-5-2-3-6-14(13)19(12)22/h2-11H,1H3.
What are the key properties of 3-(3-methylpyrazolo[1,5-f]phenanthridin-8-yl)-1,2-oxazole?
3-(3-methylpyrazolo[1,5-f]phenanthridin-8-yl)-1,2-oxazole has a molecular weight of 299.33 g/mol, XLogP of 4.60, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methylpyrazolo[1,5-f]phenanthridin-8-yl)-1,2-oxazole is sourced from PubChem (CID 59358667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).