2-pyrazin-2-ylphenanthro[9,10-d][1,3]oxazole

C19H11N3O — CID 10803950

IUPAC2-pyrazin-2-ylphenanthro[9,10-d][1,3]oxazole
SMILESc1ccc2c(c1)c1ccccc1c1oc(-c3cnccn3)nc21
InChIInChI=1S/C19H11N3O/c1-3-7-14-12(5-1)13-6-2-4-8-15(13)18-17(14)22-19(23-18)16-11-20-9-10-21-16/h1-11H
InChIKeyFJLPTSUJRWLGDZ-UHFFFAOYSA-N
MW297.32 g/mol
LogP4.59
Rot. Bonds1

About 2-pyrazin-2-ylphenanthro[9,10-d][1,3]oxazole

2-pyrazin-2-ylphenanthro[9,10-d][1,3]oxazole (PubChem CID 10803950) has the molecular formula C19H11N3O and a molecular weight of 297.32 g/mol. Its IUPAC name is 2-pyrazin-2-ylphenanthro[9,10-d][1,3]oxazole.

Molecular Properties

Compound Name2-pyrazin-2-ylphenanthro[9,10-d][1,3]oxazole
PubChem CID10803950
Molecular FormulaC19H11N3O
Molecular Weight297.32 g/mol
Exact Mass297.09
IUPAC Name2-pyrazin-2-ylphenanthro[9,10-d][1,3]oxazole
SMILESc1ccc2c(c1)c1ccccc1c1oc(-c3cnccn3)nc21
InChIInChI=1S/C19H11N3O/c1-3-7-14-12(5-1)13-6-2-4-8-15(13)18-17(14)22-19(23-18)16-11-20-9-10-21-16/h1-11H
InChIKeyFJLPTSUJRWLGDZ-UHFFFAOYSA-N
XLogP4.59
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.32
LogP ≤ 54.59
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

2-(4-Methylquinolin-6-yl)-1,3-benzoxazole
CID 2421435
N-[4-(5,6-Dimethyl-benzooxazol-2-yl)-phenyl]-nicotinamide
CID 645992
3-[2-(Dimethylamino)ethyl]-12-(4-methylphenyl)-11-oxa-3,13-diazatetracyclo[7.6.1.05,16.010,14]hexadeca-1(15),5,7,9(16),10(14),12-hexaene-2,4-dione
CID 71653874
Phenanthro[9,10-d]oxazole, 2-phenyl-
CID 626439
2-Benzyl-5-(1-methylindol-5-yl)-1,3-benzoxazole
CID 90668306
N-[2-(3-pyridinyl)-1,3-benzoxazol-5-yl]-2-naphthamide
CID 1160077
Methyl 2-quinolin-8-yl-1,3-benzoxazole-4-carboxylate
CID 127040241
N-[3-(1,3-benzoxazol-2-yl)phenyl]pyrazine-2-carboxamide
CID 704842
5,7-Di-tert-butyl-2-pyridin-3-yl-benzooxazole
CID 1222503
5,7-Di-tert-butyl-2-pyridin-4-yl-benzooxazole
CID 16727570
5,7-Ditert-butyl-2-(2-pyridyl)-1,3-benzoxazole
CID 16727571
Oxazolophenanthrene
CID 3294335

Frequently Asked Questions

What is the IUPAC name of 2-pyrazin-2-ylphenanthro[9,10-d][1,3]oxazole?
The IUPAC name of 2-pyrazin-2-ylphenanthro[9,10-d][1,3]oxazole (CID 10803950) is 2-pyrazin-2-ylphenanthro[9,10-d][1,3]oxazole.
What is the SMILES notation for 2-pyrazin-2-ylphenanthro[9,10-d][1,3]oxazole?
The canonical SMILES for 2-pyrazin-2-ylphenanthro[9,10-d][1,3]oxazole is c1ccc2c(c1)c1ccccc1c1oc(-c3cnccn3)nc21.
What is the InChIKey of 2-pyrazin-2-ylphenanthro[9,10-d][1,3]oxazole?
The InChIKey is FJLPTSUJRWLGDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H11N3O/c1-3-7-14-12(5-1)13-6-2-4-8-15(13)18-17(14)22-19(23-18)16-11-20-9-10-21-16/h1-11H.
What are the key properties of 2-pyrazin-2-ylphenanthro[9,10-d][1,3]oxazole?
2-pyrazin-2-ylphenanthro[9,10-d][1,3]oxazole has a molecular weight of 297.32 g/mol, XLogP of 4.59, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyrazin-2-ylphenanthro[9,10-d][1,3]oxazole is sourced from PubChem (CID 10803950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).