5-fluoro-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-2-nitroaniline

C11H10FN3O3 — CID 62376263

IUPAC5-fluoro-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-2-nitroaniline
SMILESCc1cc(CNc2cc(F)ccc2[N+](=O)[O-])on1
InChIInChI=1S/C11H10FN3O3/c1-7-4-9(18-14-7)6-13-10-5-8(12)2-3-11(10)15(16)17/h2-5,13H,6H2,1H3
InChIKeyULCNSCICDTVDDT-UHFFFAOYSA-N
MW251.22 g/mol
LogP2.64
Rot. Bonds4

About 5-fluoro-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-2-nitroaniline

5-fluoro-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-2-nitroaniline (PubChem CID 62376263) has the molecular formula C11H10FN3O3 and a molecular weight of 251.22 g/mol. Its IUPAC name is 5-fluoro-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-2-nitroaniline.

Molecular Properties

Compound Name5-fluoro-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-2-nitroaniline
PubChem CID62376263
Molecular FormulaC11H10FN3O3
Molecular Weight251.22 g/mol
Exact Mass251.07
IUPAC Name5-fluoro-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-2-nitroaniline
SMILESCc1cc(CNc2cc(F)ccc2[N+](=O)[O-])on1
InChIInChI=1S/C11H10FN3O3/c1-7-4-9(18-14-7)6-13-10-5-8(12)2-3-11(10)15(16)17/h2-5,13H,6H2,1H3
InChIKeyULCNSCICDTVDDT-UHFFFAOYSA-N
XLogP2.64
TPSA81.20 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.22
LogP ≤ 52.64
H-Bond Donors ≤ 51
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

3-[(3-methyl-1,2-oxazol-5-yl)methylamino]-4-nitrobenzoic acid
CID 82784162
5-fluoro-4-iodo-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-2-nitroaniline
CID 66099465
4-fluoro-2-N-[(3-methyl-1,2-oxazol-5-yl)methyl]benzene-1,2-diamine
CID 62376804
2-fluoro-5-methoxy-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-4-nitroaniline
CID 103883309
6-[(3-methyl-1,2-oxazol-5-yl)methylamino]-3-nitropyridine-2-carbonitrile
CID 103471532
2-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-4-nitroaniline
CID 60720638
5-fluoro-2-nitro-N-propylaniline
CID 50987928
5-fluoro-2-[(3-methyl-1,2-oxazol-5-yl)methylamino]benzenecarbothioamide
CID 55234103
4-fluoro-2-[(5-fluoro-2-nitroanilino)methyl]phenol
CID 107694527
N-[(4-bromophenyl)methyl]-5-fluoro-2-nitroaniline
CID 62376062
N-[(2-bromo-5-fluorophenyl)methyl]-5-fluoro-2-nitroaniline
CID 62376249
N-[(3-methyl-1,2-oxazol-5-yl)methyl]-3-nitroaniline
CID 60720600

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-2-nitroaniline?
The IUPAC name of 5-fluoro-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-2-nitroaniline (CID 62376263) is 5-fluoro-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-2-nitroaniline.
What is the SMILES notation for 5-fluoro-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-2-nitroaniline?
The canonical SMILES for 5-fluoro-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-2-nitroaniline is Cc1cc(CNc2cc(F)ccc2[N+](=O)[O-])on1.
What is the InChIKey of 5-fluoro-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-2-nitroaniline?
The InChIKey is ULCNSCICDTVDDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10FN3O3/c1-7-4-9(18-14-7)6-13-10-5-8(12)2-3-11(10)15(16)17/h2-5,13H,6H2,1H3.
What are the key properties of 5-fluoro-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-2-nitroaniline?
5-fluoro-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-2-nitroaniline has a molecular weight of 251.22 g/mol, XLogP of 2.64, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-2-nitroaniline is sourced from PubChem (CID 62376263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).