4-[3-(4-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-methyloxolan-3-amine

C14H16FN3O2 — CID 81273066

IUPAC4-[3-(4-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-methyloxolan-3-amine
SMILESCNC1COCC1c1nc(-c2ccc(F)cc2C)no1
InChIInChI=1S/C14H16FN3O2/c1-8-5-9(15)3-4-10(8)13-17-14(20-18-13)11-6-19-7-12(11)16-2/h3-5,11-12,16H,6-7H2,1-2H3
InChIKeyFPAUSJIEOIABHB-UHFFFAOYSA-N
MW277.30 g/mol
LogP1.89
Rot. Bonds3

About 4-[3-(4-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-methyloxolan-3-amine

4-[3-(4-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-methyloxolan-3-amine (PubChem CID 81273066) has the molecular formula C14H16FN3O2 and a molecular weight of 277.30 g/mol. Its IUPAC name is 4-[3-(4-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-methyloxolan-3-amine.

Molecular Properties

Compound Name4-[3-(4-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-methyloxolan-3-amine
PubChem CID81273066
Molecular FormulaC14H16FN3O2
Molecular Weight277.30 g/mol
Exact Mass277.12
IUPAC Name4-[3-(4-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-methyloxolan-3-amine
SMILESCNC1COCC1c1nc(-c2ccc(F)cc2C)no1
InChIInChI=1S/C14H16FN3O2/c1-8-5-9(15)3-4-10(8)13-17-14(20-18-13)11-6-19-7-12(11)16-2/h3-5,11-12,16H,6-7H2,1-2H3
InChIKeyFPAUSJIEOIABHB-UHFFFAOYSA-N
XLogP1.89
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.30
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-methoxyethyl)-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanamide
CID 665685
3-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-(tetrahydrofuran-2-ylmethyl)propanamide
CID 3281014
3-[3-(2-Fluoro-phenyl)-[1,2,4]oxadiazol-5-yl]-N-(3-isopropoxy-propyl)-propionamide
CID 22431119
N-[(3S*,4R*)-4-ethoxytetrahydro-3-furanyl]-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanamide
CID 70718554
N-[(3S,4S)-4-methoxy-3-pyrrolidinyl]-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanamide
CID 70753753
3-ethoxy-N-[(2-fluorophenyl)-(5-methyl-1,2,4-oxadiazol-3-yl)methyl]propanamide
CID 72013533
5-{1-[(2-Fluorophenyl)methyl]-4-(methoxymethyl)pyrrolidin-3-YL}-3-(methoxymethyl)-1,2,4-oxadiazole
CID 124050658
5-[(3S,4S)-1-[(3-fluorophenyl)methyl]-4-(methoxymethyl)pyrrolidin-3-yl]-3-(methoxymethyl)-1,2,4-oxadiazole
CID 124050660
3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(2-methoxyethyl)propanamide
CID 3639803
N-((R)-5-(5-(difluoromethyl)-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl)tetrahydrofuran-3-carboxamide
CID 139413080
3-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-propan-2-ylpropanamide
CID 1856238
N-(2-Methoxyethyl)-3-(3-phenyl-1,2,4-oxadiazol-5-YL)pyrrolidine-1-carboxamide
CID 87053057

Frequently Asked Questions

What is the IUPAC name of 4-[3-(4-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-methyloxolan-3-amine?
The IUPAC name of 4-[3-(4-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-methyloxolan-3-amine (CID 81273066) is 4-[3-(4-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-methyloxolan-3-amine.
What is the SMILES notation for 4-[3-(4-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-methyloxolan-3-amine?
The canonical SMILES for 4-[3-(4-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-methyloxolan-3-amine is CNC1COCC1c1nc(-c2ccc(F)cc2C)no1.
What is the InChIKey of 4-[3-(4-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-methyloxolan-3-amine?
The InChIKey is FPAUSJIEOIABHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FN3O2/c1-8-5-9(15)3-4-10(8)13-17-14(20-18-13)11-6-19-7-12(11)16-2/h3-5,11-12,16H,6-7H2,1-2H3.
What are the key properties of 4-[3-(4-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-methyloxolan-3-amine?
4-[3-(4-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-methyloxolan-3-amine has a molecular weight of 277.30 g/mol, XLogP of 1.89, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(4-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-methyloxolan-3-amine is sourced from PubChem (CID 81273066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).