N-(diaminomethylidene)-2-(5-fluoro-2-methoxyphenyl)-1,3-oxazole-4-carboxamide

C12H11FN4O3 — CID 25103537

IUPACN-(diaminomethylidene)-2-(5-fluoro-2-methoxyphenyl)-1,3-oxazole-4-carboxamide
SMILESCOc1ccc(F)cc1-c1nc(C(=O)N=C(N)N)co1
InChIInChI=1S/C12H11FN4O3/c1-19-9-3-2-6(13)4-7(9)11-16-8(5-20-11)10(18)17-12(14)15/h2-5H,1H3,(H4,14,15,17,18)
InChIKeyDCQQCQCKKCIZHU-UHFFFAOYSA-N
MW278.24 g/mol
LogP0.90
Rot. Bonds3

About N-(diaminomethylidene)-2-(5-fluoro-2-methoxyphenyl)-1,3-oxazole-4-carboxamide

N-(diaminomethylidene)-2-(5-fluoro-2-methoxyphenyl)-1,3-oxazole-4-carboxamide (PubChem CID 25103537) has the molecular formula C12H11FN4O3 and a molecular weight of 278.24 g/mol. Its IUPAC name is N-(diaminomethylidene)-2-(5-fluoro-2-methoxyphenyl)-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-(diaminomethylidene)-2-(5-fluoro-2-methoxyphenyl)-1,3-oxazole-4-carboxamide
PubChem CID25103537
Molecular FormulaC12H11FN4O3
Molecular Weight278.24 g/mol
Exact Mass278.08
IUPAC NameN-(diaminomethylidene)-2-(5-fluoro-2-methoxyphenyl)-1,3-oxazole-4-carboxamide
SMILESCOc1ccc(F)cc1-c1nc(C(=O)N=C(N)N)co1
InChIInChI=1S/C12H11FN4O3/c1-19-9-3-2-6(13)4-7(9)11-16-8(5-20-11)10(18)17-12(14)15/h2-5H,1H3,(H4,14,15,17,18)
InChIKeyDCQQCQCKKCIZHU-UHFFFAOYSA-N
XLogP0.90
TPSA116.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.24
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

ethyl 2-(5-fluoro-2-methoxyphenyl)-1,3-oxazole-4-carboxylate
CID 142693900
N-(diaminomethylidene)-2-(2,5-dichlorophenyl)-1,3-oxazole-4-carboxamide
CID 25103423
2-(2,4,5-trimethoxyphenyl)-1,3-oxazole-4-carboxylic acid
CID 62234680
2-(5-fluoro-2-methylphenyl)-1,3-oxazole-4-carboxylic acid
CID 63048806
N-[(1R)-1-(3,5-difluoro-4-methylphenyl)ethyl]-2-(2-methoxy-5-propan-2-ylphenyl)-1,3-oxazole-4-carboxamide
CID 58319266
2-(4-methoxy-2,3-dimethylphenyl)-1,3-oxazole-4-carboxylic acid
CID 82479704
5-(5-fluoro-2-methoxyphenyl)-1,2-oxazole-4-carboxylic acid
CID 82291793
1-[5-(5-fluoro-2-methoxyphenyl)-1,2-oxazol-3-yl]ethanone
CID 82129338
2-(4-bromo-2-methoxyphenyl)-1,3-oxazole-4-carboxylic acid
CID 115370044
2-fluoro-3-(5-fluoro-2-methoxyphenyl)benzoic acid
CID 107957266
2-(5-fluoro-2-methoxyphenyl)guanidine
CID 82490728
1-[5-(5-fluoro-2-methoxyphenyl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
CID 120862714

Frequently Asked Questions

What is the IUPAC name of N-(diaminomethylidene)-2-(5-fluoro-2-methoxyphenyl)-1,3-oxazole-4-carboxamide?
The IUPAC name of N-(diaminomethylidene)-2-(5-fluoro-2-methoxyphenyl)-1,3-oxazole-4-carboxamide (CID 25103537) is N-(diaminomethylidene)-2-(5-fluoro-2-methoxyphenyl)-1,3-oxazole-4-carboxamide.
What is the SMILES notation for N-(diaminomethylidene)-2-(5-fluoro-2-methoxyphenyl)-1,3-oxazole-4-carboxamide?
The canonical SMILES for N-(diaminomethylidene)-2-(5-fluoro-2-methoxyphenyl)-1,3-oxazole-4-carboxamide is COc1ccc(F)cc1-c1nc(C(=O)N=C(N)N)co1.
What is the InChIKey of N-(diaminomethylidene)-2-(5-fluoro-2-methoxyphenyl)-1,3-oxazole-4-carboxamide?
The InChIKey is DCQQCQCKKCIZHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11FN4O3/c1-19-9-3-2-6(13)4-7(9)11-16-8(5-20-11)10(18)17-12(14)15/h2-5H,1H3,(H4,14,15,17,18).
What are the key properties of N-(diaminomethylidene)-2-(5-fluoro-2-methoxyphenyl)-1,3-oxazole-4-carboxamide?
N-(diaminomethylidene)-2-(5-fluoro-2-methoxyphenyl)-1,3-oxazole-4-carboxamide has a molecular weight of 278.24 g/mol, XLogP of 0.90, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(diaminomethylidene)-2-(5-fluoro-2-methoxyphenyl)-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 25103537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).