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

C12H15N5O2 — CID 55103614

IUPAC4-amino-N-[2-[(dimethylamino)methyl]phenyl]-1,2,5-oxadiazole-3-carboxamide
SMILESCN(C)Cc1ccccc1NC(=O)c1nonc1N
InChIInChI=1S/C12H15N5O2/c1-17(2)7-8-5-3-4-6-9(8)14-12(18)10-11(13)16-19-15-10/h3-6H,7H2,1-2H3,(H2,13,16)(H,14,18)
InChIKeyYJRYTSQEBWGPDT-UHFFFAOYSA-N
MW261.29 g/mol
LogP0.97
Rot. Bonds4

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

4-amino-N-[2-[(dimethylamino)methyl]phenyl]-1,2,5-oxadiazole-3-carboxamide (PubChem CID 55103614) has the molecular formula C12H15N5O2 and a molecular weight of 261.29 g/mol. Its IUPAC name is 4-amino-N-[2-[(dimethylamino)methyl]phenyl]-1,2,5-oxadiazole-3-carboxamide.

Molecular Properties

Compound Name4-amino-N-[2-[(dimethylamino)methyl]phenyl]-1,2,5-oxadiazole-3-carboxamide
PubChem CID55103614
Molecular FormulaC12H15N5O2
Molecular Weight261.29 g/mol
Exact Mass261.12
IUPAC Name4-amino-N-[2-[(dimethylamino)methyl]phenyl]-1,2,5-oxadiazole-3-carboxamide
SMILESCN(C)Cc1ccccc1NC(=O)c1nonc1N
InChIInChI=1S/C12H15N5O2/c1-17(2)7-8-5-3-4-6-9(8)14-12(18)10-11(13)16-19-15-10/h3-6H,7H2,1-2H3,(H2,13,16)(H,14,18)
InChIKeyYJRYTSQEBWGPDT-UHFFFAOYSA-N
XLogP0.97
TPSA97.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.29
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-amino-N-[2-(ethoxymethyl)phenyl]-1,2,5-oxadiazole-3-carboxamide
CID 62685947
4-amino-N-[2-(pyrazol-1-ylmethyl)phenyl]-1,2,5-oxadiazole-3-carboxamide
CID 62687600
4-amino-N-(2-carbamoylphenyl)-1,2,5-oxadiazole-3-carboxamide
CID 62688483
2-N,6-N-bis[2-[(dimethylamino)methyl]phenyl]pyridine-2,6-dicarboxamide
CID 38435626
4-amino-N-(4-bromo-2-ethylphenyl)-1,2,5-oxadiazole-3-carboxamide
CID 81292624
4-amino-N-[2-(3-amino-3-oxopropoxy)phenyl]-1,2,5-oxadiazole-3-carboxamide
CID 62688512
N-[2-[(dimethylamino)methyl]phenyl]acetamide;ethane
CID 142252989
2-amino-N-[2-[(dimethylamino)methyl]phenyl]acetamide
CID 43695681
4-amino-N-[(1S)-2-(dimethylamino)-1-phenylethyl]-1,2,5-oxadiazole-3-carboxamide
CID 92606092
4-amino-N-[(1R)-2-(dimethylamino)-1-phenylethyl]-1,2,5-oxadiazole-3-carboxamide
CID 92606094
3-amino-4-bromo-N-[2-[(dimethylamino)methyl]phenyl]benzamide
CID 107812862
4-amino-N-[(2-bromophenyl)methyl]-1,2,5-oxadiazole-3-carboxamide
CID 62687471

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[2-[(dimethylamino)methyl]phenyl]-1,2,5-oxadiazole-3-carboxamide?
The IUPAC name of 4-amino-N-[2-[(dimethylamino)methyl]phenyl]-1,2,5-oxadiazole-3-carboxamide (CID 55103614) is 4-amino-N-[2-[(dimethylamino)methyl]phenyl]-1,2,5-oxadiazole-3-carboxamide.
What is the SMILES notation for 4-amino-N-[2-[(dimethylamino)methyl]phenyl]-1,2,5-oxadiazole-3-carboxamide?
The canonical SMILES for 4-amino-N-[2-[(dimethylamino)methyl]phenyl]-1,2,5-oxadiazole-3-carboxamide is CN(C)Cc1ccccc1NC(=O)c1nonc1N.
What is the InChIKey of 4-amino-N-[2-[(dimethylamino)methyl]phenyl]-1,2,5-oxadiazole-3-carboxamide?
The InChIKey is YJRYTSQEBWGPDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5O2/c1-17(2)7-8-5-3-4-6-9(8)14-12(18)10-11(13)16-19-15-10/h3-6H,7H2,1-2H3,(H2,13,16)(H,14,18).
What are the key properties of 4-amino-N-[2-[(dimethylamino)methyl]phenyl]-1,2,5-oxadiazole-3-carboxamide?
4-amino-N-[2-[(dimethylamino)methyl]phenyl]-1,2,5-oxadiazole-3-carboxamide has a molecular weight of 261.29 g/mol, XLogP of 0.97, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[2-[(dimethylamino)methyl]phenyl]-1,2,5-oxadiazole-3-carboxamide is sourced from PubChem (CID 55103614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).