N-[[3-(3-fluoro-4-morpholin-4-ylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-1,2-oxazol-3-amine

C17H19FN4O3 — CID 10154656

IUPACN-[[3-(3-fluoro-4-morpholin-4-ylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-1,2-oxazol-3-amine
SMILESFc1cc(C2=NOC(CNc3ccon3)C2)ccc1N1CCOCC1
InChIInChI=1S/C17H19FN4O3/c18-14-9-12(1-2-16(14)22-4-7-23-8-5-22)15-10-13(25-20-15)11-19-17-3-6-24-21-17/h1-3,6,9,13H,4-5,7-8,10-11H2,(H,19,21)
InChIKeyWBVSECKYPRHJJP-UHFFFAOYSA-N
MW346.36 g/mol
LogP2.26
Rot. Bonds5

About N-[[3-(3-fluoro-4-morpholin-4-ylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-1,2-oxazol-3-amine

N-[[3-(3-fluoro-4-morpholin-4-ylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-1,2-oxazol-3-amine (PubChem CID 10154656) has the molecular formula C17H19FN4O3 and a molecular weight of 346.36 g/mol. Its IUPAC name is N-[[3-(3-fluoro-4-morpholin-4-ylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-1,2-oxazol-3-amine.

Molecular Properties

Compound NameN-[[3-(3-fluoro-4-morpholin-4-ylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-1,2-oxazol-3-amine
PubChem CID10154656
Molecular FormulaC17H19FN4O3
Molecular Weight346.36 g/mol
Exact Mass346.14
IUPAC NameN-[[3-(3-fluoro-4-morpholin-4-ylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-1,2-oxazol-3-amine
SMILESFc1cc(C2=NOC(CNc3ccon3)C2)ccc1N1CCOCC1
InChIInChI=1S/C17H19FN4O3/c18-14-9-12(1-2-16(14)22-4-7-23-8-5-22)15-10-13(25-20-15)11-19-17-3-6-24-21-17/h1-3,6,9,13H,4-5,7-8,10-11H2,(H,19,21)
InChIKeyWBVSECKYPRHJJP-UHFFFAOYSA-N
XLogP2.26
TPSA72.12 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.36
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[[3-(3-fluoro-4-morpholin-4-ylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-1,2-oxazol-3-amine?
The IUPAC name of N-[[3-(3-fluoro-4-morpholin-4-ylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-1,2-oxazol-3-amine (CID 10154656) is N-[[3-(3-fluoro-4-morpholin-4-ylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-1,2-oxazol-3-amine.
What is the SMILES notation for N-[[3-(3-fluoro-4-morpholin-4-ylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-1,2-oxazol-3-amine?
The canonical SMILES for N-[[3-(3-fluoro-4-morpholin-4-ylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-1,2-oxazol-3-amine is Fc1cc(C2=NOC(CNc3ccon3)C2)ccc1N1CCOCC1.
What is the InChIKey of N-[[3-(3-fluoro-4-morpholin-4-ylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-1,2-oxazol-3-amine?
The InChIKey is WBVSECKYPRHJJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN4O3/c18-14-9-12(1-2-16(14)22-4-7-23-8-5-22)15-10-13(25-20-15)11-19-17-3-6-24-21-17/h1-3,6,9,13H,4-5,7-8,10-11H2,(H,19,21).
What are the key properties of N-[[3-(3-fluoro-4-morpholin-4-ylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-1,2-oxazol-3-amine?
N-[[3-(3-fluoro-4-morpholin-4-ylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-1,2-oxazol-3-amine has a molecular weight of 346.36 g/mol, XLogP of 2.26, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(3-fluoro-4-morpholin-4-ylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-1,2-oxazol-3-amine is sourced from PubChem (CID 10154656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).