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

C6H10N4O4 — CID 65314664

IUPAC4-amino-N-(1,3-dihydroxypropan-2-yl)-1,2,5-oxadiazole-3-carboxamide
SMILESNc1nonc1C(=O)NC(CO)CO
InChIInChI=1S/C6H10N4O4/c7-5-4(9-14-10-5)6(13)8-3(1-11)2-12/h3,11-12H,1-2H2,(H2,7,10)(H,8,13)
InChIKeyNZHMBCDAKNWVNV-UHFFFAOYSA-N
MW202.17 g/mol
LogP-2.27
Rot. Bonds4

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

4-amino-N-(1,3-dihydroxypropan-2-yl)-1,2,5-oxadiazole-3-carboxamide (PubChem CID 65314664) has the molecular formula C6H10N4O4 and a molecular weight of 202.17 g/mol. Its IUPAC name is 4-amino-N-(1,3-dihydroxypropan-2-yl)-1,2,5-oxadiazole-3-carboxamide.

Molecular Properties

Compound Name4-amino-N-(1,3-dihydroxypropan-2-yl)-1,2,5-oxadiazole-3-carboxamide
PubChem CID65314664
Molecular FormulaC6H10N4O4
Molecular Weight202.17 g/mol
Exact Mass202.07
IUPAC Name4-amino-N-(1,3-dihydroxypropan-2-yl)-1,2,5-oxadiazole-3-carboxamide
SMILESNc1nonc1C(=O)NC(CO)CO
InChIInChI=1S/C6H10N4O4/c7-5-4(9-14-10-5)6(13)8-3(1-11)2-12/h3,11-12H,1-2H2,(H2,7,10)(H,8,13)
InChIKeyNZHMBCDAKNWVNV-UHFFFAOYSA-N
XLogP-2.27
TPSA134.50 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.17
LogP ≤ 5-2.27
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Related Compounds

(2S)-2-[(4-amino-1,2,5-oxadiazole-3-carbonyl)amino]propanoic acid
CID 78991718
4-amino-N-[(2S)-1-amino-1-oxopropan-2-yl]-1,2,5-oxadiazole-3-carboxamide
CID 94548469
4-amino-N-(dicyclopropylmethyl)-1,2,5-oxadiazole-3-carboxamide
CID 62687641
4-amino-N-(1-methylsulfonylpropan-2-yl)-1,2,5-oxadiazole-3-carboxamide
CID 64642806
methyl 2-[(4-amino-1,2,5-oxadiazole-3-carbonyl)amino]-3-methylbutanoate
CID 55103863
4-amino-N-(1-hydroxy-2-methylpropan-2-yl)-1,2,5-oxadiazole-3-carboxamide
CID 62687769
4-amino-N-[1-(4-methylphenyl)propyl]-1,2,5-oxadiazole-3-carboxamide
CID 62687239
(2S)-2-[(4-amino-1,2,5-oxadiazole-3-carbonyl)amino]-2-phenylacetic acid
CID 104898540
4-amino-N-(4-phenylbutan-2-yl)-1,2,5-oxadiazole-3-carboxamide
CID 55090938
2-[(4-amino-1,2,5-oxadiazole-3-carbonyl)amino]-4-phenylbutanoic acid
CID 114917606
4-amino-N-(2,2-diethoxyethyl)-1,2,5-oxadiazole-3-carboxamide
CID 79548056
4-amino-N-[(1R)-2-(dimethylamino)-1-phenylethyl]-1,2,5-oxadiazole-3-carboxamide
CID 92606094

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(1,3-dihydroxypropan-2-yl)-1,2,5-oxadiazole-3-carboxamide?
The IUPAC name of 4-amino-N-(1,3-dihydroxypropan-2-yl)-1,2,5-oxadiazole-3-carboxamide (CID 65314664) is 4-amino-N-(1,3-dihydroxypropan-2-yl)-1,2,5-oxadiazole-3-carboxamide.
What is the SMILES notation for 4-amino-N-(1,3-dihydroxypropan-2-yl)-1,2,5-oxadiazole-3-carboxamide?
The canonical SMILES for 4-amino-N-(1,3-dihydroxypropan-2-yl)-1,2,5-oxadiazole-3-carboxamide is Nc1nonc1C(=O)NC(CO)CO.
What is the InChIKey of 4-amino-N-(1,3-dihydroxypropan-2-yl)-1,2,5-oxadiazole-3-carboxamide?
The InChIKey is NZHMBCDAKNWVNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N4O4/c7-5-4(9-14-10-5)6(13)8-3(1-11)2-12/h3,11-12H,1-2H2,(H2,7,10)(H,8,13).
What are the key properties of 4-amino-N-(1,3-dihydroxypropan-2-yl)-1,2,5-oxadiazole-3-carboxamide?
4-amino-N-(1,3-dihydroxypropan-2-yl)-1,2,5-oxadiazole-3-carboxamide has a molecular weight of 202.17 g/mol, XLogP of -2.27, 4 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(1,3-dihydroxypropan-2-yl)-1,2,5-oxadiazole-3-carboxamide is sourced from PubChem (CID 65314664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).