3-fluoro-2-(3-morpholin-4-yl-1,2,4-oxadiazol-5-yl)aniline

C12H13FN4O2 — CID 116807548

IUPAC3-fluoro-2-(3-morpholin-4-yl-1,2,4-oxadiazol-5-yl)aniline
SMILESNc1cccc(F)c1-c1nc(N2CCOCC2)no1
InChIInChI=1S/C12H13FN4O2/c13-8-2-1-3-9(14)10(8)11-15-12(16-19-11)17-4-6-18-7-5-17/h1-3H,4-7,14H2
InChIKeyPBSVWFDYSFBZIT-UHFFFAOYSA-N
MW264.26 g/mol
LogP1.29
Rot. Bonds2

About 3-fluoro-2-(3-morpholin-4-yl-1,2,4-oxadiazol-5-yl)aniline

3-fluoro-2-(3-morpholin-4-yl-1,2,4-oxadiazol-5-yl)aniline (PubChem CID 116807548) has the molecular formula C12H13FN4O2 and a molecular weight of 264.26 g/mol. Its IUPAC name is 3-fluoro-2-(3-morpholin-4-yl-1,2,4-oxadiazol-5-yl)aniline.

Molecular Properties

Compound Name3-fluoro-2-(3-morpholin-4-yl-1,2,4-oxadiazol-5-yl)aniline
PubChem CID116807548
Molecular FormulaC12H13FN4O2
Molecular Weight264.26 g/mol
Exact Mass264.10
IUPAC Name3-fluoro-2-(3-morpholin-4-yl-1,2,4-oxadiazol-5-yl)aniline
SMILESNc1cccc(F)c1-c1nc(N2CCOCC2)no1
InChIInChI=1S/C12H13FN4O2/c13-8-2-1-3-9(14)10(8)11-15-12(16-19-11)17-4-6-18-7-5-17/h1-3H,4-7,14H2
InChIKeyPBSVWFDYSFBZIT-UHFFFAOYSA-N
XLogP1.29
TPSA77.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.26
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-fluoro-5-(3-morpholin-4-yl-1,2,4-oxadiazol-5-yl)aniline
CID 116807492
3-fluoro-4-(3-morpholin-4-yl-1,2,4-oxadiazol-5-yl)aniline
CID 107795630
4,5-dimethyl-3-(3-morpholin-4-yl-1,2,4-oxadiazol-5-yl)thiophen-2-amine
CID 116807514
2,6-dichloro-4-(3-morpholin-4-yl-1,2,4-oxadiazol-5-yl)aniline
CID 116807469
4-[5-(2,4-dimethylphenyl)-1,2,4-oxadiazol-3-yl]morpholine
CID 147324404
3-fluoro-2-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]aniline
CID 43443181
6-[3-(azepan-1-yl)-1,2,4-oxadiazol-5-yl]pyridin-2-amine
CID 116808091
2-[3-(3-bromo-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-3-fluoroaniline
CID 82788339
3-fluoro-2-[3-(thiophen-2-ylmethyl)-1,2,4-oxadiazol-5-yl]aniline
CID 62500647
6-[3-(4-methylpiperazin-1-yl)-1,2,4-oxadiazol-5-yl]pyridin-2-amine
CID 116807815
3-[4-(2,6-difluorophenyl)sulfonylpiperazin-1-yl]-5-phenyl-1,2,4-oxadiazole
CID 133481509
2-fluoro-6-(3-pyrrolidin-1-yl-1,2,4-oxadiazol-5-yl)benzonitrile
CID 106527582

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-2-(3-morpholin-4-yl-1,2,4-oxadiazol-5-yl)aniline?
The IUPAC name of 3-fluoro-2-(3-morpholin-4-yl-1,2,4-oxadiazol-5-yl)aniline (CID 116807548) is 3-fluoro-2-(3-morpholin-4-yl-1,2,4-oxadiazol-5-yl)aniline.
What is the SMILES notation for 3-fluoro-2-(3-morpholin-4-yl-1,2,4-oxadiazol-5-yl)aniline?
The canonical SMILES for 3-fluoro-2-(3-morpholin-4-yl-1,2,4-oxadiazol-5-yl)aniline is Nc1cccc(F)c1-c1nc(N2CCOCC2)no1.
What is the InChIKey of 3-fluoro-2-(3-morpholin-4-yl-1,2,4-oxadiazol-5-yl)aniline?
The InChIKey is PBSVWFDYSFBZIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FN4O2/c13-8-2-1-3-9(14)10(8)11-15-12(16-19-11)17-4-6-18-7-5-17/h1-3H,4-7,14H2.
What are the key properties of 3-fluoro-2-(3-morpholin-4-yl-1,2,4-oxadiazol-5-yl)aniline?
3-fluoro-2-(3-morpholin-4-yl-1,2,4-oxadiazol-5-yl)aniline has a molecular weight of 264.26 g/mol, XLogP of 1.29, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-2-(3-morpholin-4-yl-1,2,4-oxadiazol-5-yl)aniline is sourced from PubChem (CID 116807548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).