4-[(2-nitrophenoxy)methyl]-1,2-oxazole

C10H8N2O4 — CID 71413295

IUPAC4-[(2-nitrophenoxy)methyl]-1,2-oxazole
SMILESO=[N+]([O-])c1ccccc1OCc1cnoc1
InChIInChI=1S/C10H8N2O4/c13-12(14)9-3-1-2-4-10(9)15-6-8-5-11-16-7-8/h1-5,7H,6H2
InChIKeyUSVUHSGRMPBLGV-UHFFFAOYSA-N
MW220.18 g/mol
LogP2.16
Rot. Bonds4

About 4-[(2-nitrophenoxy)methyl]-1,2-oxazole

4-[(2-nitrophenoxy)methyl]-1,2-oxazole (PubChem CID 71413295) has the molecular formula C10H8N2O4 and a molecular weight of 220.18 g/mol. Its IUPAC name is 4-[(2-nitrophenoxy)methyl]-1,2-oxazole.

Molecular Properties

Compound Name4-[(2-nitrophenoxy)methyl]-1,2-oxazole
PubChem CID71413295
Molecular FormulaC10H8N2O4
Molecular Weight220.18 g/mol
Exact Mass220.05
IUPAC Name4-[(2-nitrophenoxy)methyl]-1,2-oxazole
SMILESO=[N+]([O-])c1ccccc1OCc1cnoc1
InChIInChI=1S/C10H8N2O4/c13-12(14)9-3-1-2-4-10(9)15-6-8-5-11-16-7-8/h1-5,7H,6H2
InChIKeyUSVUHSGRMPBLGV-UHFFFAOYSA-N
XLogP2.16
TPSA78.40 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.18
LogP ≤ 52.16
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

4-[(2-ethylphenoxy)methyl]-1,2-oxazole
CID 61223505
4-[(2-bromophenoxy)methyl]-1,2-oxazole
CID 60871511
3-bromo-5-[(2-nitrophenoxy)methyl]pyridine
CID 39528226
N-ethyl-5-[(2-nitrophenoxy)methyl]pyridin-2-amine
CID 62195082
1,2-difluoro-4-[(2-nitrophenoxy)methyl]benzene
CID 78797422
1-nitro-2-[[4-(trifluoromethyl)phenyl]methoxy]benzene
CID 18551352
(E)-3-[5-nitro-2-(1,2-oxazol-4-ylmethoxy)phenyl]prop-2-enoic acid
CID 60873645
1-nitro-2-[2-[2-(2-nitrophenoxy)ethoxy]ethoxy]benzene
CID 2748735
6-amino-5-[(2-nitrophenoxy)methyl]-1H-pyrimidin-2-one
CID 57009311
5-[(2-methyl-3-nitrophenoxy)methyl]pyridin-2-amine
CID 62195557
3-[(2-nitrophenoxy)methyl]-5-phenyl-1,2-oxazole
CID 9013397
1-nitro-2-(2-nitrophenyl)peroxybenzene
CID 151853711

Frequently Asked Questions

What is the IUPAC name of 4-[(2-nitrophenoxy)methyl]-1,2-oxazole?
The IUPAC name of 4-[(2-nitrophenoxy)methyl]-1,2-oxazole (CID 71413295) is 4-[(2-nitrophenoxy)methyl]-1,2-oxazole.
What is the SMILES notation for 4-[(2-nitrophenoxy)methyl]-1,2-oxazole?
The canonical SMILES for 4-[(2-nitrophenoxy)methyl]-1,2-oxazole is O=[N+]([O-])c1ccccc1OCc1cnoc1.
What is the InChIKey of 4-[(2-nitrophenoxy)methyl]-1,2-oxazole?
The InChIKey is USVUHSGRMPBLGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N2O4/c13-12(14)9-3-1-2-4-10(9)15-6-8-5-11-16-7-8/h1-5,7H,6H2.
What are the key properties of 4-[(2-nitrophenoxy)methyl]-1,2-oxazole?
4-[(2-nitrophenoxy)methyl]-1,2-oxazole has a molecular weight of 220.18 g/mol, XLogP of 2.16, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-nitrophenoxy)methyl]-1,2-oxazole is sourced from PubChem (CID 71413295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).