4-chloro-2-fluoro-5-[(4-methyl-1,2,5-oxadiazol-3-yl)methoxy]aniline

C10H9ClFN3O2 — CID 19832742

IUPAC4-chloro-2-fluoro-5-[(4-methyl-1,2,5-oxadiazol-3-yl)methoxy]aniline
SMILESCc1nonc1COc1cc(N)c(F)cc1Cl
InChIInChI=1S/C10H9ClFN3O2/c1-5-9(15-17-14-5)4-16-10-3-8(13)7(12)2-6(10)11/h2-3H,4,13H2,1H3
InChIKeyFHZNOJBHOZDSHF-UHFFFAOYSA-N
MW257.65 g/mol
LogP2.33
Rot. Bonds3

About 4-chloro-2-fluoro-5-[(4-methyl-1,2,5-oxadiazol-3-yl)methoxy]aniline

4-chloro-2-fluoro-5-[(4-methyl-1,2,5-oxadiazol-3-yl)methoxy]aniline (PubChem CID 19832742) has the molecular formula C10H9ClFN3O2 and a molecular weight of 257.65 g/mol. Its IUPAC name is 4-chloro-2-fluoro-5-[(4-methyl-1,2,5-oxadiazol-3-yl)methoxy]aniline.

Molecular Properties

Compound Name4-chloro-2-fluoro-5-[(4-methyl-1,2,5-oxadiazol-3-yl)methoxy]aniline
PubChem CID19832742
Molecular FormulaC10H9ClFN3O2
Molecular Weight257.65 g/mol
Exact Mass257.04
IUPAC Name4-chloro-2-fluoro-5-[(4-methyl-1,2,5-oxadiazol-3-yl)methoxy]aniline
SMILESCc1nonc1COc1cc(N)c(F)cc1Cl
InChIInChI=1S/C10H9ClFN3O2/c1-5-9(15-17-14-5)4-16-10-3-8(13)7(12)2-6(10)11/h2-3H,4,13H2,1H3
InChIKeyFHZNOJBHOZDSHF-UHFFFAOYSA-N
XLogP2.33
TPSA74.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.65
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-[(2-fluoro-5-methylphenoxy)methyl]-4-methyl-1,2,5-oxadiazole
CID 64854334
4-chloro-5-[(E)-3-chloroprop-2-enoxy]-2-fluoroaniline
CID 139226452
(4-methyl-1,2,5-oxadiazol-3-yl)methyl 4-amino-3-chlorobenzoate
CID 82786561
2-[3,5-dibromo-4-[(4-methyl-1,2,5-oxadiazol-3-yl)methoxy]phenyl]ethanamine
CID 107739556
5-[(2-chloro-4-fluorophenoxy)methyl]-N-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-1,2-oxazole-3-carboxamide
CID 24817549
O-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]hydroxylamine
CID 79422234
4-[(4-methyl-1,2,5-oxadiazol-3-yl)methoxy]-3-(trifluoromethyl)benzonitrile
CID 115467910
4-chloro-2-fluoro-5-prop-1-ynoxyaniline
CID 130018887
3-methyl-4-[(4-methyl-1,2,5-oxadiazol-3-yl)methoxy]benzoic acid
CID 107673641
[6-methyl-3-[(4-methyl-1,2,5-oxadiazol-3-yl)methoxy]-2-pyridinyl]methanol
CID 79156313
5-chloro-2-fluoro-4-[(3-fluorophenyl)methoxy]aniline
CID 146470006
5-chloro-2-fluoro-4-propan-2-yloxyaniline
CID 130516814

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-fluoro-5-[(4-methyl-1,2,5-oxadiazol-3-yl)methoxy]aniline?
The IUPAC name of 4-chloro-2-fluoro-5-[(4-methyl-1,2,5-oxadiazol-3-yl)methoxy]aniline (CID 19832742) is 4-chloro-2-fluoro-5-[(4-methyl-1,2,5-oxadiazol-3-yl)methoxy]aniline.
What is the SMILES notation for 4-chloro-2-fluoro-5-[(4-methyl-1,2,5-oxadiazol-3-yl)methoxy]aniline?
The canonical SMILES for 4-chloro-2-fluoro-5-[(4-methyl-1,2,5-oxadiazol-3-yl)methoxy]aniline is Cc1nonc1COc1cc(N)c(F)cc1Cl.
What is the InChIKey of 4-chloro-2-fluoro-5-[(4-methyl-1,2,5-oxadiazol-3-yl)methoxy]aniline?
The InChIKey is FHZNOJBHOZDSHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClFN3O2/c1-5-9(15-17-14-5)4-16-10-3-8(13)7(12)2-6(10)11/h2-3H,4,13H2,1H3.
What are the key properties of 4-chloro-2-fluoro-5-[(4-methyl-1,2,5-oxadiazol-3-yl)methoxy]aniline?
4-chloro-2-fluoro-5-[(4-methyl-1,2,5-oxadiazol-3-yl)methoxy]aniline has a molecular weight of 257.65 g/mol, XLogP of 2.33, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-fluoro-5-[(4-methyl-1,2,5-oxadiazol-3-yl)methoxy]aniline is sourced from PubChem (CID 19832742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).