4-amino-N-[3-(2-methoxyethoxy)phenyl]-1,2,5-oxadiazole-3-carboxamide

C12H14N4O4 — CID 62688696

IUPAC4-amino-N-[3-(2-methoxyethoxy)phenyl]-1,2,5-oxadiazole-3-carboxamide
SMILESCOCCOc1cccc(NC(=O)c2nonc2N)c1
InChIInChI=1S/C12H14N4O4/c1-18-5-6-19-9-4-2-3-8(7-9)14-12(17)10-11(13)16-20-15-10/h2-4,7H,5-6H2,1H3,(H2,13,16)(H,14,17)
InChIKeyDDVZKYZBKHLDNT-UHFFFAOYSA-N
MW278.27 g/mol
LogP0.93
Rot. Bonds6

About 4-amino-N-[3-(2-methoxyethoxy)phenyl]-1,2,5-oxadiazole-3-carboxamide

4-amino-N-[3-(2-methoxyethoxy)phenyl]-1,2,5-oxadiazole-3-carboxamide (PubChem CID 62688696) has the molecular formula C12H14N4O4 and a molecular weight of 278.27 g/mol. Its IUPAC name is 4-amino-N-[3-(2-methoxyethoxy)phenyl]-1,2,5-oxadiazole-3-carboxamide.

Molecular Properties

Compound Name4-amino-N-[3-(2-methoxyethoxy)phenyl]-1,2,5-oxadiazole-3-carboxamide
PubChem CID62688696
Molecular FormulaC12H14N4O4
Molecular Weight278.27 g/mol
Exact Mass278.10
IUPAC Name4-amino-N-[3-(2-methoxyethoxy)phenyl]-1,2,5-oxadiazole-3-carboxamide
SMILESCOCCOc1cccc(NC(=O)c2nonc2N)c1
InChIInChI=1S/C12H14N4O4/c1-18-5-6-19-9-4-2-3-8(7-9)14-12(17)10-11(13)16-20-15-10/h2-4,7H,5-6H2,1H3,(H2,13,16)(H,14,17)
InChIKeyDDVZKYZBKHLDNT-UHFFFAOYSA-N
XLogP0.93
TPSA112.50 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.27
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

methyl 3-[(4-amino-1,2,5-oxadiazole-3-carbonyl)amino]benzoate
CID 62686184
N-[3-(2-methoxyethoxy)phenyl]-1H-pyrazole-4-carboxamide
CID 54867752
2-chloro-N-[3-(2-methoxyethoxy)phenyl]benzamide
CID 17169773
(2S)-2-amino-N-[3-(2-methoxyethoxy)phenyl]propanamide;hydrochloride
CID 119289412
3-amino-N-(3-methoxyphenyl)pyrazine-2-carboxamide
CID 46673484
4-chloro-N-[3-(2-methoxyethoxy)phenyl]pyridine-2-carboxamide
CID 61041653
3-amino-N-[3-(2-methoxyethoxy)phenyl]butanamide
CID 54862322
1-(3,4-dichlorophenyl)-3-[3-(2-methoxyethoxy)phenyl]urea
CID 55910965
N-[3-(2-methoxyethoxy)phenyl]-2-(2-phenoxyethoxy)benzamide
CID 17169883
4-amino-N-(3-pyrrolidin-1-ylphenyl)-1,2,5-oxadiazole-3-carboxamide
CID 62688150
2-fluoro-4-methoxy-N-[3-(2-methoxyethoxy)phenyl]benzamide
CID 87026628
2-chloro-N-[3-(2-methoxyethoxy)phenyl]pyridine-3-carboxamide
CID 61041501

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[3-(2-methoxyethoxy)phenyl]-1,2,5-oxadiazole-3-carboxamide?
The IUPAC name of 4-amino-N-[3-(2-methoxyethoxy)phenyl]-1,2,5-oxadiazole-3-carboxamide (CID 62688696) is 4-amino-N-[3-(2-methoxyethoxy)phenyl]-1,2,5-oxadiazole-3-carboxamide.
What is the SMILES notation for 4-amino-N-[3-(2-methoxyethoxy)phenyl]-1,2,5-oxadiazole-3-carboxamide?
The canonical SMILES for 4-amino-N-[3-(2-methoxyethoxy)phenyl]-1,2,5-oxadiazole-3-carboxamide is COCCOc1cccc(NC(=O)c2nonc2N)c1.
What is the InChIKey of 4-amino-N-[3-(2-methoxyethoxy)phenyl]-1,2,5-oxadiazole-3-carboxamide?
The InChIKey is DDVZKYZBKHLDNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O4/c1-18-5-6-19-9-4-2-3-8(7-9)14-12(17)10-11(13)16-20-15-10/h2-4,7H,5-6H2,1H3,(H2,13,16)(H,14,17).
What are the key properties of 4-amino-N-[3-(2-methoxyethoxy)phenyl]-1,2,5-oxadiazole-3-carboxamide?
4-amino-N-[3-(2-methoxyethoxy)phenyl]-1,2,5-oxadiazole-3-carboxamide has a molecular weight of 278.27 g/mol, XLogP of 0.93, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[3-(2-methoxyethoxy)phenyl]-1,2,5-oxadiazole-3-carboxamide is sourced from PubChem (CID 62688696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).