2-(3,4-dimethoxyphenyl)phenanthro[9,10-d][1,3]oxazole

C23H17NO3 — CID 122368663

IUPAC2-(3,4-dimethoxyphenyl)phenanthro[9,10-d][1,3]oxazole
SMILESCOc1ccc(-c2nc3c4ccccc4c4ccccc4c3o2)cc1OC
InChIInChI=1S/C23H17NO3/c1-25-19-12-11-14(13-20(19)26-2)23-24-21-17-9-5-3-7-15(17)16-8-4-6-10-18(16)22(21)27-23/h3-13H,1-2H3
InChIKeyHKOZYUIJVSAQNL-UHFFFAOYSA-N
MW355.39 g/mol
LogP5.82
Rot. Bonds3

About 2-(3,4-dimethoxyphenyl)phenanthro[9,10-d][1,3]oxazole

2-(3,4-dimethoxyphenyl)phenanthro[9,10-d][1,3]oxazole (PubChem CID 122368663) has the molecular formula C23H17NO3 and a molecular weight of 355.39 g/mol. Its IUPAC name is 2-(3,4-dimethoxyphenyl)phenanthro[9,10-d][1,3]oxazole.

Molecular Properties

Compound Name2-(3,4-dimethoxyphenyl)phenanthro[9,10-d][1,3]oxazole
PubChem CID122368663
Molecular FormulaC23H17NO3
Molecular Weight355.39 g/mol
Exact Mass355.12
IUPAC Name2-(3,4-dimethoxyphenyl)phenanthro[9,10-d][1,3]oxazole
SMILESCOc1ccc(-c2nc3c4ccccc4c4ccccc4c3o2)cc1OC
InChIInChI=1S/C23H17NO3/c1-25-19-12-11-14(13-20(19)26-2)23-24-21-17-9-5-3-7-15(17)16-8-4-6-10-18(16)22(21)27-23/h3-13H,1-2H3
InChIKeyHKOZYUIJVSAQNL-UHFFFAOYSA-N
XLogP5.82
TPSA44.49 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500355.39
LogP ≤ 55.82
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-(3,4-dimethoxyphenyl)-4-(3,4,5-trimethoxyphenyl)-1,3-benzoxazole
CID 164628353
N-naphthalen-2-yl-N-(4-phenanthro[9,10-d][1,3]oxazol-2-ylphenyl)naphthalen-2-amine
CID 171747678
2-(3,4-dimethoxyphenyl)-7-methyl-1,3-benzoxazol-5-amine
CID 56772452
2-(3,4-dimethoxyphenyl)-5-iodo-1,3,4-oxadiazole
CID 114771479
2-(3,4-dimethoxyphenyl)-N,7-dimethyl-1,3-benzoxazol-5-amine
CID 91676797
N-(4-phenanthro[9,10-d][1,3]oxazol-2-ylphenyl)-N,3-diphenylaniline
CID 171747683
methyl 2-(3,4-dimethoxyphenyl)-7-methoxy-1,3-benzoxazole-5-carboxylate
CID 139779387
2-(3,4-dimethoxyphenyl)-5-methyl-1,3-benzoxazole
CID 3159469
4,5,10,11,16,17-hexakis(3,4-dimethoxyphenyl)-3,6,9,12,15,18-hexazatetracyclo[12.4.0.02,7.08,13]octadeca-1,3,5,7,9,11,13,15,17-nonaene
CID 101071642
5-(3,4-dimethoxyphenyl)-2-phenyl-1,3-oxazole-4-carboxylic acid
CID 11370771
17-anthracen-9-yl-4,5,10,11,20-pentamethoxy-18-oxa-16-azapentacyclo[12.7.0.02,7.08,13.015,19]henicosa-1(21),2,4,6,8,10,12,14,16,19-decaene
CID 175618078
3-N-dibenzofuran-2-yl-3-N-(3-phenanthro[9,10-d][1,3]oxazol-2-ylphenyl)-1-N,1-N-diphenylbenzene-1,3-diamine
CID 171747487

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethoxyphenyl)phenanthro[9,10-d][1,3]oxazole?
The IUPAC name of 2-(3,4-dimethoxyphenyl)phenanthro[9,10-d][1,3]oxazole (CID 122368663) is 2-(3,4-dimethoxyphenyl)phenanthro[9,10-d][1,3]oxazole.
What is the SMILES notation for 2-(3,4-dimethoxyphenyl)phenanthro[9,10-d][1,3]oxazole?
The canonical SMILES for 2-(3,4-dimethoxyphenyl)phenanthro[9,10-d][1,3]oxazole is COc1ccc(-c2nc3c4ccccc4c4ccccc4c3o2)cc1OC.
What is the InChIKey of 2-(3,4-dimethoxyphenyl)phenanthro[9,10-d][1,3]oxazole?
The InChIKey is HKOZYUIJVSAQNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17NO3/c1-25-19-12-11-14(13-20(19)26-2)23-24-21-17-9-5-3-7-15(17)16-8-4-6-10-18(16)22(21)27-23/h3-13H,1-2H3.
What are the key properties of 2-(3,4-dimethoxyphenyl)phenanthro[9,10-d][1,3]oxazole?
2-(3,4-dimethoxyphenyl)phenanthro[9,10-d][1,3]oxazole has a molecular weight of 355.39 g/mol, XLogP of 5.82, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethoxyphenyl)phenanthro[9,10-d][1,3]oxazole is sourced from PubChem (CID 122368663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).