N-(1-amino-1-hydroxyimino-3-methylbutan-2-yl)-3-methyl-1,2-oxazole-5-carboxamide

C10H16N4O3 — CID 77039167

IUPACN-(1-amino-1-hydroxyimino-3-methylbutan-2-yl)-3-methyl-1,2-oxazole-5-carboxamide
SMILESCc1cc(C(=O)NC(C(N)=NO)C(C)C)on1
InChIInChI=1S/C10H16N4O3/c1-5(2)8(9(11)13-16)12-10(15)7-4-6(3)14-17-7/h4-5,8,16H,1-3H3,(H2,11,13)(H,12,15)
InChIKeyKAPBCRMLMPGIHX-UHFFFAOYSA-N
MW240.26 g/mol
LogP0.48
Rot. Bonds4

About N-(1-amino-1-hydroxyimino-3-methylbutan-2-yl)-3-methyl-1,2-oxazole-5-carboxamide

N-(1-amino-1-hydroxyimino-3-methylbutan-2-yl)-3-methyl-1,2-oxazole-5-carboxamide (PubChem CID 77039167) has the molecular formula C10H16N4O3 and a molecular weight of 240.26 g/mol. Its IUPAC name is N-(1-amino-1-hydroxyimino-3-methylbutan-2-yl)-3-methyl-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-(1-amino-1-hydroxyimino-3-methylbutan-2-yl)-3-methyl-1,2-oxazole-5-carboxamide
PubChem CID77039167
Molecular FormulaC10H16N4O3
Molecular Weight240.26 g/mol
Exact Mass240.12
IUPAC NameN-(1-amino-1-hydroxyimino-3-methylbutan-2-yl)-3-methyl-1,2-oxazole-5-carboxamide
SMILESCc1cc(C(=O)NC(C(N)=NO)C(C)C)on1
InChIInChI=1S/C10H16N4O3/c1-5(2)8(9(11)13-16)12-10(15)7-4-6(3)14-17-7/h4-5,8,16H,1-3H3,(H2,11,13)(H,12,15)
InChIKeyKAPBCRMLMPGIHX-UHFFFAOYSA-N
XLogP0.48
TPSA113.74 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 50.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(1-amino-1-hydroxyiminopentan-2-yl)-3-methyl-1,2-oxazole-5-carboxamide
CID 76930016
3-hydroxy-2-[(3-methyl-1,2-oxazole-5-carbonyl)amino]butanoic acid
CID 43209737
(2R)-2-[(3-methyl-1,2-oxazole-5-carbonyl)amino]propanoic acid
CID 28777806
3-methyl-2-[(3-methyl-1,2-oxazole-5-carbonyl)amino]pentanoic acid
CID 43209831
N-(1-iodo-3-methylbutan-2-yl)-3-methyl-1,2-oxazole-5-carboxamide
CID 107859861
N-[(2R)-1-(dimethylamino)-1-oxopropan-2-yl]-3-methyl-1,2-oxazole-5-carboxamide
CID 94114367
N-(3-amino-3-hydroxyiminopropyl)-3-methyl-1,2-oxazole-5-carboxamide
CID 76952846
N-(1,3-dihydroxypropan-2-yl)-3-methyl-1,2-oxazole-5-carboxamide
CID 65314948
N-(4-chlorobutan-2-yl)-3-methyl-1,2-oxazole-5-carboxamide
CID 83188576
3-methyl-N-[2-methyl-1-(4-propan-2-ylphenyl)propyl]-1,2-oxazole-5-carboxamide
CID 46823792
N-(1-amino-1-hydroxyimino-3-methylbutan-2-yl)-5-methyl-1H-pyrazole-4-carboxamide
CID 77042436
N-(1-amino-1-hydroxyimino-3-methylbutan-2-yl)-2-methylpyrazole-3-carboxamide
CID 77039413

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-1-hydroxyimino-3-methylbutan-2-yl)-3-methyl-1,2-oxazole-5-carboxamide?
The IUPAC name of N-(1-amino-1-hydroxyimino-3-methylbutan-2-yl)-3-methyl-1,2-oxazole-5-carboxamide (CID 77039167) is N-(1-amino-1-hydroxyimino-3-methylbutan-2-yl)-3-methyl-1,2-oxazole-5-carboxamide.
What is the SMILES notation for N-(1-amino-1-hydroxyimino-3-methylbutan-2-yl)-3-methyl-1,2-oxazole-5-carboxamide?
The canonical SMILES for N-(1-amino-1-hydroxyimino-3-methylbutan-2-yl)-3-methyl-1,2-oxazole-5-carboxamide is Cc1cc(C(=O)NC(C(N)=NO)C(C)C)on1.
What is the InChIKey of N-(1-amino-1-hydroxyimino-3-methylbutan-2-yl)-3-methyl-1,2-oxazole-5-carboxamide?
The InChIKey is KAPBCRMLMPGIHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O3/c1-5(2)8(9(11)13-16)12-10(15)7-4-6(3)14-17-7/h4-5,8,16H,1-3H3,(H2,11,13)(H,12,15).
What are the key properties of N-(1-amino-1-hydroxyimino-3-methylbutan-2-yl)-3-methyl-1,2-oxazole-5-carboxamide?
N-(1-amino-1-hydroxyimino-3-methylbutan-2-yl)-3-methyl-1,2-oxazole-5-carboxamide has a molecular weight of 240.26 g/mol, XLogP of 0.48, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-1-hydroxyimino-3-methylbutan-2-yl)-3-methyl-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 77039167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).