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

C13H15N5O3 — CID 62687601

IUPAC4-amino-N-[3-(propan-2-ylcarbamoyl)phenyl]-1,2,5-oxadiazole-3-carboxamide
SMILESCC(C)NC(=O)c1cccc(NC(=O)c2nonc2N)c1
InChIInChI=1S/C13H15N5O3/c1-7(2)15-12(19)8-4-3-5-9(6-8)16-13(20)10-11(14)18-21-17-10/h3-7H,1-2H3,(H2,14,18)(H,15,19)(H,16,20)
InChIKeyAAVGJXLUNTUBJY-UHFFFAOYSA-N
MW289.30 g/mol
LogP1.04
Rot. Bonds4

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

4-amino-N-[3-(propan-2-ylcarbamoyl)phenyl]-1,2,5-oxadiazole-3-carboxamide (PubChem CID 62687601) has the molecular formula C13H15N5O3 and a molecular weight of 289.30 g/mol. Its IUPAC name is 4-amino-N-[3-(propan-2-ylcarbamoyl)phenyl]-1,2,5-oxadiazole-3-carboxamide.

Molecular Properties

Compound Name4-amino-N-[3-(propan-2-ylcarbamoyl)phenyl]-1,2,5-oxadiazole-3-carboxamide
PubChem CID62687601
Molecular FormulaC13H15N5O3
Molecular Weight289.30 g/mol
Exact Mass289.12
IUPAC Name4-amino-N-[3-(propan-2-ylcarbamoyl)phenyl]-1,2,5-oxadiazole-3-carboxamide
SMILESCC(C)NC(=O)c1cccc(NC(=O)c2nonc2N)c1
InChIInChI=1S/C13H15N5O3/c1-7(2)15-12(19)8-4-3-5-9(6-8)16-13(20)10-11(14)18-21-17-10/h3-7H,1-2H3,(H2,14,18)(H,15,19)(H,16,20)
InChIKeyAAVGJXLUNTUBJY-UHFFFAOYSA-N
XLogP1.04
TPSA123.14 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.30
LogP ≤ 51.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 3-[(4-amino-1,2,5-oxadiazole-3-carbonyl)amino]benzoate
CID 62686184
4-amino-N-(3-carbamoylphenyl)-1,2,5-oxadiazole-3-carboxamide
CID 55103910
N-[3-(propan-2-ylcarbamoyl)phenyl]pyridine-4-carboxamide
CID 17197451
4-amino-N-[3-(2-methoxyethoxy)phenyl]-1,2,5-oxadiazole-3-carboxamide
CID 62688696
3-[[(2R)-2-aminopropanoyl]amino]-N-propan-2-ylbenzamide
CID 54995638
3-methyl-N-[3-(propan-2-ylcarbamoyl)phenyl]benzamide
CID 17197365
4-amino-N-(3-pyrrolidin-1-ylphenyl)-1,2,5-oxadiazole-3-carboxamide
CID 62688150
3-[(3-ethoxybenzoyl)amino]-N-propan-2-ylbenzamide
CID 17197485
3-(2,2-dimethylpropanoylamino)-N-propan-2-ylbenzamide
CID 17197425
3-[(4-phenylbenzoyl)amino]-N-propan-2-ylbenzamide
CID 17197336
N-propan-2-yl-3-[(2-propan-2-yloxyacetyl)amino]benzamide
CID 47412911
2-methyl-N-[3-(propan-2-ylcarbamoyl)phenyl]benzamide
CID 17197346

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[3-(propan-2-ylcarbamoyl)phenyl]-1,2,5-oxadiazole-3-carboxamide?
The IUPAC name of 4-amino-N-[3-(propan-2-ylcarbamoyl)phenyl]-1,2,5-oxadiazole-3-carboxamide (CID 62687601) is 4-amino-N-[3-(propan-2-ylcarbamoyl)phenyl]-1,2,5-oxadiazole-3-carboxamide.
What is the SMILES notation for 4-amino-N-[3-(propan-2-ylcarbamoyl)phenyl]-1,2,5-oxadiazole-3-carboxamide?
The canonical SMILES for 4-amino-N-[3-(propan-2-ylcarbamoyl)phenyl]-1,2,5-oxadiazole-3-carboxamide is CC(C)NC(=O)c1cccc(NC(=O)c2nonc2N)c1.
What is the InChIKey of 4-amino-N-[3-(propan-2-ylcarbamoyl)phenyl]-1,2,5-oxadiazole-3-carboxamide?
The InChIKey is AAVGJXLUNTUBJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N5O3/c1-7(2)15-12(19)8-4-3-5-9(6-8)16-13(20)10-11(14)18-21-17-10/h3-7H,1-2H3,(H2,14,18)(H,15,19)(H,16,20).
What are the key properties of 4-amino-N-[3-(propan-2-ylcarbamoyl)phenyl]-1,2,5-oxadiazole-3-carboxamide?
4-amino-N-[3-(propan-2-ylcarbamoyl)phenyl]-1,2,5-oxadiazole-3-carboxamide has a molecular weight of 289.30 g/mol, XLogP of 1.04, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[3-(propan-2-ylcarbamoyl)phenyl]-1,2,5-oxadiazole-3-carboxamide is sourced from PubChem (CID 62687601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).