2-(3-fluoro-5-nitrophenyl)sulfanyl-4-methyl-1,3-oxazole

C10H7FN2O3S — CID 106923457

IUPAC2-(3-fluoro-5-nitrophenyl)sulfanyl-4-methyl-1,3-oxazole
SMILESCc1coc(Sc2cc(F)cc([N+](=O)[O-])c2)n1
InChIInChI=1S/C10H7FN2O3S/c1-6-5-16-10(12-6)17-9-3-7(11)2-8(4-9)13(14)15/h2-5H,1H3
InChIKeyWKAJCZNLHOFLIX-UHFFFAOYSA-N
MW254.24 g/mol
LogP3.18
Rot. Bonds3

About 2-(3-fluoro-5-nitrophenyl)sulfanyl-4-methyl-1,3-oxazole

2-(3-fluoro-5-nitrophenyl)sulfanyl-4-methyl-1,3-oxazole (PubChem CID 106923457) has the molecular formula C10H7FN2O3S and a molecular weight of 254.24 g/mol. Its IUPAC name is 2-(3-fluoro-5-nitrophenyl)sulfanyl-4-methyl-1,3-oxazole.

Molecular Properties

Compound Name2-(3-fluoro-5-nitrophenyl)sulfanyl-4-methyl-1,3-oxazole
PubChem CID106923457
Molecular FormulaC10H7FN2O3S
Molecular Weight254.24 g/mol
Exact Mass254.02
IUPAC Name2-(3-fluoro-5-nitrophenyl)sulfanyl-4-methyl-1,3-oxazole
SMILESCc1coc(Sc2cc(F)cc([N+](=O)[O-])c2)n1
InChIInChI=1S/C10H7FN2O3S/c1-6-5-16-10(12-6)17-9-3-7(11)2-8(4-9)13(14)15/h2-5H,1H3
InChIKeyWKAJCZNLHOFLIX-UHFFFAOYSA-N
XLogP3.18
TPSA69.17 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.24
LogP ≤ 53.18
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

2-[(3-Fluoro-4-nitrophenyl)methylsulfanyl]-4-methyl-1,3-oxazole
CID 106921284
5-Fluoro-2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]aniline
CID 106921465
3-Fluoro-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]aniline
CID 106921482
3-Fluoro-5-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]aniline
CID 106921530
4-Fluoro-2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]aniline
CID 106921533
3,4-Difluoro-2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]aniline
CID 106921578
2-Fluoro-6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]aniline
CID 106921600
3,5-Difluoro-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]aniline
CID 106921602
4-Fluoro-5-iodo-2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]aniline
CID 106921605
2,4-Difluoro-6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]aniline
CID 106921609
2-(3-Fluoro-5-nitrophenyl)sulfanyl-1,3-oxazole
CID 106923378
2-(3-Fluoro-2-nitrophenyl)sulfanyl-4-methyl-1,3-oxazole
CID 106923416

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluoro-5-nitrophenyl)sulfanyl-4-methyl-1,3-oxazole?
The IUPAC name of 2-(3-fluoro-5-nitrophenyl)sulfanyl-4-methyl-1,3-oxazole (CID 106923457) is 2-(3-fluoro-5-nitrophenyl)sulfanyl-4-methyl-1,3-oxazole.
What is the SMILES notation for 2-(3-fluoro-5-nitrophenyl)sulfanyl-4-methyl-1,3-oxazole?
The canonical SMILES for 2-(3-fluoro-5-nitrophenyl)sulfanyl-4-methyl-1,3-oxazole is Cc1coc(Sc2cc(F)cc([N+](=O)[O-])c2)n1.
What is the InChIKey of 2-(3-fluoro-5-nitrophenyl)sulfanyl-4-methyl-1,3-oxazole?
The InChIKey is WKAJCZNLHOFLIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7FN2O3S/c1-6-5-16-10(12-6)17-9-3-7(11)2-8(4-9)13(14)15/h2-5H,1H3.
What are the key properties of 2-(3-fluoro-5-nitrophenyl)sulfanyl-4-methyl-1,3-oxazole?
2-(3-fluoro-5-nitrophenyl)sulfanyl-4-methyl-1,3-oxazole has a molecular weight of 254.24 g/mol, XLogP of 3.18, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluoro-5-nitrophenyl)sulfanyl-4-methyl-1,3-oxazole is sourced from PubChem (CID 106923457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).