5-methoxy-2-(4-nitrophenyl)-1,3-oxazole

C10H8N2O4 — CID 11252973

IUPAC5-methoxy-2-(4-nitrophenyl)-1,3-oxazole
SMILESCOc1cnc(-c2ccc([N+](=O)[O-])cc2)o1
InChIInChI=1S/C10H8N2O4/c1-15-9-6-11-10(16-9)7-2-4-8(5-3-7)12(13)14/h2-6H,1H3
InChIKeyBZYITYAYGLLSHD-UHFFFAOYSA-N
MW220.18 g/mol
LogP2.26
Rot. Bonds3

About 5-methoxy-2-(4-nitrophenyl)-1,3-oxazole

5-methoxy-2-(4-nitrophenyl)-1,3-oxazole (PubChem CID 11252973) has the molecular formula C10H8N2O4 and a molecular weight of 220.18 g/mol. Its IUPAC name is 5-methoxy-2-(4-nitrophenyl)-1,3-oxazole.

Molecular Properties

Compound Name5-methoxy-2-(4-nitrophenyl)-1,3-oxazole
PubChem CID11252973
Molecular FormulaC10H8N2O4
Molecular Weight220.18 g/mol
Exact Mass220.05
IUPAC Name5-methoxy-2-(4-nitrophenyl)-1,3-oxazole
SMILESCOc1cnc(-c2ccc([N+](=O)[O-])cc2)o1
InChIInChI=1S/C10H8N2O4/c1-15-9-6-11-10(16-9)7-2-4-8(5-3-7)12(13)14/h2-6H,1H3
InChIKeyBZYITYAYGLLSHD-UHFFFAOYSA-N
XLogP2.26
TPSA78.40 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.18
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

5-(2,2-dimethylpropyl)-2-(4-nitrophenyl)-1,3-oxazole
CID 172704457
5-(4-methoxyphenyl)-2-(4-nitrophenyl)-1,3-oxazol-4-amine
CID 14269277
5-ethoxy-2-(3-nitrophenyl)-1,3-oxazole
CID 132589107
4-[5-(4-nitrophenyl)-1,3-oxazol-2-yl]benzaldehyde
CID 76851670
5-methoxy-2-pyridin-3-yl-1,3-oxazole
CID 19612509
2-(4-methoxyphenyl)-6-nitro-1,3-benzoxazole
CID 887499
1,3-dimethoxy-5-(4-nitrophenyl)benzene
CID 101434697
2-(4-nitrophenyl)-[1,3]oxazolo[5,4-c]pyridine
CID 59680062
2-(4-nitrophenyl)-5-[4-[8-[4-[5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]phenoxy]octoxy]phenyl]-1,3,4-oxadiazole
CID 177495649
2-(4-nitrophenyl)-5-propan-2-yl-1,3,4-oxadiazole
CID 11264781
5-(4-nitrophenyl)-3-pyrimidin-2-yl-1,3,4-oxadiazol-2-one
CID 171618734
5-tert-butyl-2-(4-nitrophenyl)-1H-imidazole
CID 90705993

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-2-(4-nitrophenyl)-1,3-oxazole?
The IUPAC name of 5-methoxy-2-(4-nitrophenyl)-1,3-oxazole (CID 11252973) is 5-methoxy-2-(4-nitrophenyl)-1,3-oxazole.
What is the SMILES notation for 5-methoxy-2-(4-nitrophenyl)-1,3-oxazole?
The canonical SMILES for 5-methoxy-2-(4-nitrophenyl)-1,3-oxazole is COc1cnc(-c2ccc([N+](=O)[O-])cc2)o1.
What is the InChIKey of 5-methoxy-2-(4-nitrophenyl)-1,3-oxazole?
The InChIKey is BZYITYAYGLLSHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N2O4/c1-15-9-6-11-10(16-9)7-2-4-8(5-3-7)12(13)14/h2-6H,1H3.
What are the key properties of 5-methoxy-2-(4-nitrophenyl)-1,3-oxazole?
5-methoxy-2-(4-nitrophenyl)-1,3-oxazole has a molecular weight of 220.18 g/mol, XLogP of 2.26, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-2-(4-nitrophenyl)-1,3-oxazole is sourced from PubChem (CID 11252973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).