[5-[3-(2-fluoro-4-iodoanilino)-4-pyridinyl]-1,3,4-oxadiazol-2-yl]carbamic acid

C14H9FIN5O3 — CID 141187122

IUPAC[5-[3-(2-fluoro-4-iodoanilino)-4-pyridinyl]-1,3,4-oxadiazol-2-yl]carbamic acid
SMILESO=C(O)Nc1nnc(-c2ccncc2Nc2ccc(I)cc2F)o1
InChIInChI=1S/C14H9FIN5O3/c15-9-5-7(16)1-2-10(9)18-11-6-17-4-3-8(11)12-20-21-13(24-12)19-14(22)23/h1-6,18H,(H,19,21)(H,22,23)
InChIKeyFDCNQTURLYTISL-UHFFFAOYSA-N
MW441.16 g/mol
LogP3.71
Rot. Bonds4

About [5-[3-(2-fluoro-4-iodoanilino)-4-pyridinyl]-1,3,4-oxadiazol-2-yl]carbamic acid

[5-[3-(2-fluoro-4-iodoanilino)-4-pyridinyl]-1,3,4-oxadiazol-2-yl]carbamic acid (PubChem CID 141187122) has the molecular formula C14H9FIN5O3 and a molecular weight of 441.16 g/mol. Its IUPAC name is [5-[3-(2-fluoro-4-iodoanilino)-4-pyridinyl]-1,3,4-oxadiazol-2-yl]carbamic acid.

Molecular Properties

Compound Name[5-[3-(2-fluoro-4-iodoanilino)-4-pyridinyl]-1,3,4-oxadiazol-2-yl]carbamic acid
PubChem CID141187122
Molecular FormulaC14H9FIN5O3
Molecular Weight441.16 g/mol
Exact Mass440.97
IUPAC Name[5-[3-(2-fluoro-4-iodoanilino)-4-pyridinyl]-1,3,4-oxadiazol-2-yl]carbamic acid
SMILESO=C(O)Nc1nnc(-c2ccncc2Nc2ccc(I)cc2F)o1
InChIInChI=1S/C14H9FIN5O3/c15-9-5-7(16)1-2-10(9)18-11-6-17-4-3-8(11)12-20-21-13(24-12)19-14(22)23/h1-6,18H,(H,19,21)(H,22,23)
InChIKeyFDCNQTURLYTISL-UHFFFAOYSA-N
XLogP3.71
TPSA113.17 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.16
LogP ≤ 53.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

methyl 2-[[5-[3-(2-fluoro-4-methylanilino)-4-pyridinyl]-1,3,4-oxadiazol-2-yl]amino]acetate
CID 143567541
2-[[5-[3-(2-fluoro-4-methylanilino)-4-pyridinyl]-1,3,4-oxadiazol-2-yl]-methylamino]propanoic acid
CID 143567491
[[3-(2-fluoro-4-iodoanilino)pyridine-4-carbonyl]amino]thiourea
CID 59026765
3-[[5-[3,4-difluoro-2-(2-fluoro-4-iodoanilino)phenyl]-1,3,4-oxadiazol-2-yl]amino]propanoic acid
CID 10323837
ethyl 3-[3-(2-fluoro-4-iodoanilino)-4-pyridinyl]-1H-1,2,4-triazole-5-carboxylate
CID 59026787
3-(2-fluoro-4-iodoanilino)-N'-(4-methylphenyl)pyridine-4-carbohydrazide
CID 11532734
N-[2-[[5-[3,4-difluoro-2-(2-fluoro-4-iodoanilino)phenyl]-1,3,4-oxadiazol-2-yl]amino]ethyl]acetamide
CID 167239585
3-(2-fluoro-4-iodoanilino)-N-morpholin-4-ylpyridine-4-carboxamide
CID 11575838
N-(2-fluoro-4-iodophenyl)-3-nitropyridin-4-amine
CID 69022484
ethyl 2-amino-2-[[3-(2-fluoro-4-iodoanilino)pyridine-4-carbonyl]hydrazinylidene]acetate
CID 68852573
(2-benzoylhydrazinyl) 3-(2-fluoro-4-iodoanilino)pyridine-4-carboxylate
CID 67251550
N-(2-fluoro-4-iodophenyl)-4-[4-(oxolan-3-ylmethyl)-1,5-dihydro-1,2,4-triazol-3-yl]pyridin-3-amine
CID 142697505

Frequently Asked Questions

What is the IUPAC name of [5-[3-(2-fluoro-4-iodoanilino)-4-pyridinyl]-1,3,4-oxadiazol-2-yl]carbamic acid?
The IUPAC name of [5-[3-(2-fluoro-4-iodoanilino)-4-pyridinyl]-1,3,4-oxadiazol-2-yl]carbamic acid (CID 141187122) is [5-[3-(2-fluoro-4-iodoanilino)-4-pyridinyl]-1,3,4-oxadiazol-2-yl]carbamic acid.
What is the SMILES notation for [5-[3-(2-fluoro-4-iodoanilino)-4-pyridinyl]-1,3,4-oxadiazol-2-yl]carbamic acid?
The canonical SMILES for [5-[3-(2-fluoro-4-iodoanilino)-4-pyridinyl]-1,3,4-oxadiazol-2-yl]carbamic acid is O=C(O)Nc1nnc(-c2ccncc2Nc2ccc(I)cc2F)o1.
What is the InChIKey of [5-[3-(2-fluoro-4-iodoanilino)-4-pyridinyl]-1,3,4-oxadiazol-2-yl]carbamic acid?
The InChIKey is FDCNQTURLYTISL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9FIN5O3/c15-9-5-7(16)1-2-10(9)18-11-6-17-4-3-8(11)12-20-21-13(24-12)19-14(22)23/h1-6,18H,(H,19,21)(H,22,23).
What are the key properties of [5-[3-(2-fluoro-4-iodoanilino)-4-pyridinyl]-1,3,4-oxadiazol-2-yl]carbamic acid?
[5-[3-(2-fluoro-4-iodoanilino)-4-pyridinyl]-1,3,4-oxadiazol-2-yl]carbamic acid has a molecular weight of 441.16 g/mol, XLogP of 3.71, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[3-(2-fluoro-4-iodoanilino)-4-pyridinyl]-1,3,4-oxadiazol-2-yl]carbamic acid is sourced from PubChem (CID 141187122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).