4-amino-N-(3-chloro-2-imidazol-1-ylphenyl)-1,2,5-oxadiazole-3-carboxamide

C12H9ClN6O2 — CID 62686312

IUPAC4-amino-N-(3-chloro-2-imidazol-1-ylphenyl)-1,2,5-oxadiazole-3-carboxamide
SMILESNc1nonc1C(=O)Nc1cccc(Cl)c1-n1ccnc1
InChIInChI=1S/C12H9ClN6O2/c13-7-2-1-3-8(10(7)19-5-4-15-6-19)16-12(20)9-11(14)18-21-17-9/h1-6H,(H2,14,18)(H,16,20)
InChIKeySAHOXTLBAUGKKU-UHFFFAOYSA-N
MW304.70 g/mol
LogP1.74
Rot. Bonds3

About 4-amino-N-(3-chloro-2-imidazol-1-ylphenyl)-1,2,5-oxadiazole-3-carboxamide

4-amino-N-(3-chloro-2-imidazol-1-ylphenyl)-1,2,5-oxadiazole-3-carboxamide (PubChem CID 62686312) has the molecular formula C12H9ClN6O2 and a molecular weight of 304.70 g/mol. Its IUPAC name is 4-amino-N-(3-chloro-2-imidazol-1-ylphenyl)-1,2,5-oxadiazole-3-carboxamide.

Molecular Properties

Compound Name4-amino-N-(3-chloro-2-imidazol-1-ylphenyl)-1,2,5-oxadiazole-3-carboxamide
PubChem CID62686312
Molecular FormulaC12H9ClN6O2
Molecular Weight304.70 g/mol
Exact Mass304.05
IUPAC Name4-amino-N-(3-chloro-2-imidazol-1-ylphenyl)-1,2,5-oxadiazole-3-carboxamide
SMILESNc1nonc1C(=O)Nc1cccc(Cl)c1-n1ccnc1
InChIInChI=1S/C12H9ClN6O2/c13-7-2-1-3-8(10(7)19-5-4-15-6-19)16-12(20)9-11(14)18-21-17-9/h1-6H,(H2,14,18)(H,16,20)
InChIKeySAHOXTLBAUGKKU-UHFFFAOYSA-N
XLogP1.74
TPSA111.86 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.70
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

(2R)-2-amino-N-(3-chloro-2-imidazol-1-ylphenyl)propanamide
CID 54991269
N-(3-chloro-2-imidazol-1-ylphenyl)-2-(methylamino)acetamide
CID 43699248
(2S)-2-amino-N-(3-chloro-2-imidazol-1-ylphenyl)-3,3-dimethylbutanamide
CID 61155642
4-chloro-N-(3-chloro-2-imidazol-1-ylphenyl)butanamide
CID 63307734
4-amino-N-(2,4,5-trichlorophenyl)-1,2,5-oxadiazole-3-carboxamide
CID 55103950
3-amino-4-(3-chloro-2-imidazol-1-ylanilino)-4-oxobutanoic acid
CID 64897235
N-(3-chloro-2-imidazol-1-ylphenyl)-5-hydroxypentanamide
CID 79200005
(2R)-2-amino-N-(3-chloro-2-imidazol-1-ylphenyl)pentanamide
CID 107568364
(2S)-2-amino-N-(3-chloro-2-imidazol-1-ylphenyl)-4-methylpentanamide
CID 61155309
2-(aminomethyl)-N-(3-chloro-2-imidazol-1-ylphenyl)-3-methylbutanamide
CID 65225410
(2R)-2-amino-N-(3-chloro-2-imidazol-1-ylphenyl)-4-methylpentanamide
CID 104902699
N-(3-chloro-2-imidazol-1-ylphenyl)piperidine-4-carboxamide
CID 43699228

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(3-chloro-2-imidazol-1-ylphenyl)-1,2,5-oxadiazole-3-carboxamide?
The IUPAC name of 4-amino-N-(3-chloro-2-imidazol-1-ylphenyl)-1,2,5-oxadiazole-3-carboxamide (CID 62686312) is 4-amino-N-(3-chloro-2-imidazol-1-ylphenyl)-1,2,5-oxadiazole-3-carboxamide.
What is the SMILES notation for 4-amino-N-(3-chloro-2-imidazol-1-ylphenyl)-1,2,5-oxadiazole-3-carboxamide?
The canonical SMILES for 4-amino-N-(3-chloro-2-imidazol-1-ylphenyl)-1,2,5-oxadiazole-3-carboxamide is Nc1nonc1C(=O)Nc1cccc(Cl)c1-n1ccnc1.
What is the InChIKey of 4-amino-N-(3-chloro-2-imidazol-1-ylphenyl)-1,2,5-oxadiazole-3-carboxamide?
The InChIKey is SAHOXTLBAUGKKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClN6O2/c13-7-2-1-3-8(10(7)19-5-4-15-6-19)16-12(20)9-11(14)18-21-17-9/h1-6H,(H2,14,18)(H,16,20).
What are the key properties of 4-amino-N-(3-chloro-2-imidazol-1-ylphenyl)-1,2,5-oxadiazole-3-carboxamide?
4-amino-N-(3-chloro-2-imidazol-1-ylphenyl)-1,2,5-oxadiazole-3-carboxamide has a molecular weight of 304.70 g/mol, XLogP of 1.74, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(3-chloro-2-imidazol-1-ylphenyl)-1,2,5-oxadiazole-3-carboxamide is sourced from PubChem (CID 62686312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).