4-amino-N-(1-hydroxy-2-methylpropan-2-yl)-1,2,5-oxadiazole-3-carboxamide

C7H12N4O3 — CID 62687769

IUPAC4-amino-N-(1-hydroxy-2-methylpropan-2-yl)-1,2,5-oxadiazole-3-carboxamide
SMILESCC(C)(CO)NC(=O)c1nonc1N
InChIInChI=1S/C7H12N4O3/c1-7(2,3-12)9-6(13)4-5(8)11-14-10-4/h12H,3H2,1-2H3,(H2,8,11)(H,9,13)
InChIKeyUEKSPPZJMRGRRZ-UHFFFAOYSA-N
MW200.20 g/mol
LogP-0.85
Rot. Bonds3

About 4-amino-N-(1-hydroxy-2-methylpropan-2-yl)-1,2,5-oxadiazole-3-carboxamide

4-amino-N-(1-hydroxy-2-methylpropan-2-yl)-1,2,5-oxadiazole-3-carboxamide (PubChem CID 62687769) has the molecular formula C7H12N4O3 and a molecular weight of 200.20 g/mol. Its IUPAC name is 4-amino-N-(1-hydroxy-2-methylpropan-2-yl)-1,2,5-oxadiazole-3-carboxamide.

Molecular Properties

Compound Name4-amino-N-(1-hydroxy-2-methylpropan-2-yl)-1,2,5-oxadiazole-3-carboxamide
PubChem CID62687769
Molecular FormulaC7H12N4O3
Molecular Weight200.20 g/mol
Exact Mass200.09
IUPAC Name4-amino-N-(1-hydroxy-2-methylpropan-2-yl)-1,2,5-oxadiazole-3-carboxamide
SMILESCC(C)(CO)NC(=O)c1nonc1N
InChIInChI=1S/C7H12N4O3/c1-7(2,3-12)9-6(13)4-5(8)11-14-10-4/h12H,3H2,1-2H3,(H2,8,11)(H,9,13)
InChIKeyUEKSPPZJMRGRRZ-UHFFFAOYSA-N
XLogP-0.85
TPSA114.27 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.20
LogP ≤ 5-0.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

4-amino-N-(2-ethoxy-2-methylpropyl)-1,2,5-oxadiazole-3-carboxamide
CID 114942314
4-amino-N-(1,3-dihydroxypropan-2-yl)-1,2,5-oxadiazole-3-carboxamide
CID 65314664
4-amino-N-(2-hydroxy-2-methylpentyl)-1,2,5-oxadiazole-3-carboxamide
CID 106292040
4-amino-N-(1-hydroxy-2-methylpropan-2-yl)-5-propan-2-yl-1H-pyrazole-3-carboxamide
CID 62076553
[(E)-[amino-(4-amino-1,2,5-oxadiazol-3-yl)methylidene]amino] N-tert-butylcarbamate
CID 5372680
4-amino-N-propylsulfonyl-1,2,5-oxadiazole-3-carboxamide
CID 103307329
4-amino-N-[(2S)-1-amino-1-oxopropan-2-yl]-1,2,5-oxadiazole-3-carboxamide
CID 94548469
4-amino-N-(1-methylsulfonylpropan-2-yl)-1,2,5-oxadiazole-3-carboxamide
CID 64642806
4-amino-N-(4-hydroxypentyl)-1,2,5-oxadiazole-3-carboxamide
CID 106134755
4-amino-N-(7-hydroxy-6-oxoheptyl)-1,2,5-oxadiazole-3-carboxamide
CID 58248586
4-amino-N-(dicyclopropylmethyl)-1,2,5-oxadiazole-3-carboxamide
CID 62687641
2-[(4-amino-1,2,5-oxadiazole-3-carbonyl)-methylamino]-2-methylpropanoic acid
CID 62817588

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(1-hydroxy-2-methylpropan-2-yl)-1,2,5-oxadiazole-3-carboxamide?
The IUPAC name of 4-amino-N-(1-hydroxy-2-methylpropan-2-yl)-1,2,5-oxadiazole-3-carboxamide (CID 62687769) is 4-amino-N-(1-hydroxy-2-methylpropan-2-yl)-1,2,5-oxadiazole-3-carboxamide.
What is the SMILES notation for 4-amino-N-(1-hydroxy-2-methylpropan-2-yl)-1,2,5-oxadiazole-3-carboxamide?
The canonical SMILES for 4-amino-N-(1-hydroxy-2-methylpropan-2-yl)-1,2,5-oxadiazole-3-carboxamide is CC(C)(CO)NC(=O)c1nonc1N.
What is the InChIKey of 4-amino-N-(1-hydroxy-2-methylpropan-2-yl)-1,2,5-oxadiazole-3-carboxamide?
The InChIKey is UEKSPPZJMRGRRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N4O3/c1-7(2,3-12)9-6(13)4-5(8)11-14-10-4/h12H,3H2,1-2H3,(H2,8,11)(H,9,13).
What are the key properties of 4-amino-N-(1-hydroxy-2-methylpropan-2-yl)-1,2,5-oxadiazole-3-carboxamide?
4-amino-N-(1-hydroxy-2-methylpropan-2-yl)-1,2,5-oxadiazole-3-carboxamide has a molecular weight of 200.20 g/mol, XLogP of -0.85, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(1-hydroxy-2-methylpropan-2-yl)-1,2,5-oxadiazole-3-carboxamide is sourced from PubChem (CID 62687769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).