5-[3-[(2-fluoro-4-iodophenyl)methyl]-4-pyridinyl]-N-(3-morpholin-4-ylpropyl)-1,3,4-oxadiazol-2-amine

C21H23FIN5O2 — CID 160823239

IUPAC5-[3-[(2-fluoro-4-iodophenyl)methyl]-4-pyridinyl]-N-(3-morpholin-4-ylpropyl)-1,3,4-oxadiazol-2-amine
SMILESFc1cc(I)ccc1Cc1cnccc1-c1nnc(NCCCN2CCOCC2)o1
InChIInChI=1S/C21H23FIN5O2/c22-19-13-17(23)3-2-15(19)12-16-14-24-6-4-18(16)20-26-27-21(30-20)25-5-1-7-28-8-10-29-11-9-28/h2-4,6,13-14H,1,5,7-12H2,(H,25,27)
InChIKeySFUZEKYLMQLXMP-UHFFFAOYSA-N
MW523.35 g/mol
LogP3.60
Rot. Bonds8

About 5-[3-[(2-fluoro-4-iodophenyl)methyl]-4-pyridinyl]-N-(3-morpholin-4-ylpropyl)-1,3,4-oxadiazol-2-amine

5-[3-[(2-fluoro-4-iodophenyl)methyl]-4-pyridinyl]-N-(3-morpholin-4-ylpropyl)-1,3,4-oxadiazol-2-amine (PubChem CID 160823239) has the molecular formula C21H23FIN5O2 and a molecular weight of 523.35 g/mol. Its IUPAC name is 5-[3-[(2-fluoro-4-iodophenyl)methyl]-4-pyridinyl]-N-(3-morpholin-4-ylpropyl)-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound Name5-[3-[(2-fluoro-4-iodophenyl)methyl]-4-pyridinyl]-N-(3-morpholin-4-ylpropyl)-1,3,4-oxadiazol-2-amine
PubChem CID160823239
Molecular FormulaC21H23FIN5O2
Molecular Weight523.35 g/mol
Exact Mass523.09
IUPAC Name5-[3-[(2-fluoro-4-iodophenyl)methyl]-4-pyridinyl]-N-(3-morpholin-4-ylpropyl)-1,3,4-oxadiazol-2-amine
SMILESFc1cc(I)ccc1Cc1cnccc1-c1nnc(NCCCN2CCOCC2)o1
InChIInChI=1S/C21H23FIN5O2/c22-19-13-17(23)3-2-15(19)12-16-14-24-6-4-18(16)20-26-27-21(30-20)25-5-1-7-28-8-10-29-11-9-28/h2-4,6,13-14H,1,5,7-12H2,(H,25,27)
InChIKeySFUZEKYLMQLXMP-UHFFFAOYSA-N
XLogP3.60
TPSA76.31 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500523.35
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

2,6-difluoro-N-[3-methoxy-4-[5-(3-morpholin-4-ylpropylamino)-1,3,4-oxadiazol-2-yl]phenyl]benzamide;2,2,2-trifluoroacetic acid
CID 68973386
[1-[3-methoxy-4-[5-(3-morpholin-4-ylpropylamino)-1,3,4-oxadiazol-2-yl]anilino]-1-oxopropan-2-yl] 2,2,2-trifluoroacetate
CID 140535735
2,6-difluoro-N-[4-[5-(3-morpholin-4-ylpropylamino)-1,3,4-oxadiazol-2-yl]phenyl]benzamide;2,2,2-trifluoroacetic acid
CID 68973144
5-(2,3-dimethyl-1H-indol-5-yl)-N-(4-morpholin-4-ylbutyl)-1,3,4-oxadiazol-2-amine
CID 42634157
5-N-(3-morpholin-4-ylpropyl)pyridine-3,5-diamine
CID 113423694
6-chloro-N-(3-morpholin-4-ylpropyl)-1,3-benzoxazol-2-amine
CID 171705164
2-N-(3-morpholin-4-ylpropyl)pyrimidine-2,5-diamine
CID 24823423
N-(3-morpholin-4-ylpropyl)-1,2,4-oxadiazol-5-amine
CID 91579922
3-fluoro-4-(3-morpholin-4-ylpropyl)phenol
CID 170869738
5-fluoro-4-N-(3-morpholin-4-ylpropyl)pyrimidine-2,4-diamine
CID 80771545
2-fluoro-4-methoxy-N-(3-morpholin-4-ylpropyl)aniline
CID 82538948
4-[5-[4-(2-morpholin-4-ylethylamino)phenyl]furan-2-yl]pyridine-3-carbonitrile
CID 130375257

Frequently Asked Questions

What is the IUPAC name of 5-[3-[(2-fluoro-4-iodophenyl)methyl]-4-pyridinyl]-N-(3-morpholin-4-ylpropyl)-1,3,4-oxadiazol-2-amine?
The IUPAC name of 5-[3-[(2-fluoro-4-iodophenyl)methyl]-4-pyridinyl]-N-(3-morpholin-4-ylpropyl)-1,3,4-oxadiazol-2-amine (CID 160823239) is 5-[3-[(2-fluoro-4-iodophenyl)methyl]-4-pyridinyl]-N-(3-morpholin-4-ylpropyl)-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for 5-[3-[(2-fluoro-4-iodophenyl)methyl]-4-pyridinyl]-N-(3-morpholin-4-ylpropyl)-1,3,4-oxadiazol-2-amine?
The canonical SMILES for 5-[3-[(2-fluoro-4-iodophenyl)methyl]-4-pyridinyl]-N-(3-morpholin-4-ylpropyl)-1,3,4-oxadiazol-2-amine is Fc1cc(I)ccc1Cc1cnccc1-c1nnc(NCCCN2CCOCC2)o1.
What is the InChIKey of 5-[3-[(2-fluoro-4-iodophenyl)methyl]-4-pyridinyl]-N-(3-morpholin-4-ylpropyl)-1,3,4-oxadiazol-2-amine?
The InChIKey is SFUZEKYLMQLXMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23FIN5O2/c22-19-13-17(23)3-2-15(19)12-16-14-24-6-4-18(16)20-26-27-21(30-20)25-5-1-7-28-8-10-29-11-9-28/h2-4,6,13-14H,1,5,7-12H2,(H,25,27).
What are the key properties of 5-[3-[(2-fluoro-4-iodophenyl)methyl]-4-pyridinyl]-N-(3-morpholin-4-ylpropyl)-1,3,4-oxadiazol-2-amine?
5-[3-[(2-fluoro-4-iodophenyl)methyl]-4-pyridinyl]-N-(3-morpholin-4-ylpropyl)-1,3,4-oxadiazol-2-amine has a molecular weight of 523.35 g/mol, XLogP of 3.60, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-[(2-fluoro-4-iodophenyl)methyl]-4-pyridinyl]-N-(3-morpholin-4-ylpropyl)-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 160823239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).