N-(3-amino-3-hydroxyiminopropyl)-N-cyclopropyl-3-methyl-1,2-oxazole-5-carboxamide

C11H16N4O3 — CID 76930113

IUPACN-(3-amino-3-hydroxyiminopropyl)-N-cyclopropyl-3-methyl-1,2-oxazole-5-carboxamide
SMILESCc1cc(C(=O)N(CCC(N)=NO)C2CC2)on1
InChIInChI=1S/C11H16N4O3/c1-7-6-9(18-14-7)11(16)15(8-2-3-8)5-4-10(12)13-17/h6,8,17H,2-5H2,1H3,(H2,12,13)
InChIKeyYXCRKGWAAIKEPK-UHFFFAOYSA-N
MW252.27 g/mol
LogP0.72
Rot. Bonds5

About N-(3-amino-3-hydroxyiminopropyl)-N-cyclopropyl-3-methyl-1,2-oxazole-5-carboxamide

N-(3-amino-3-hydroxyiminopropyl)-N-cyclopropyl-3-methyl-1,2-oxazole-5-carboxamide (PubChem CID 76930113) has the molecular formula C11H16N4O3 and a molecular weight of 252.27 g/mol. Its IUPAC name is N-(3-amino-3-hydroxyiminopropyl)-N-cyclopropyl-3-methyl-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-(3-amino-3-hydroxyiminopropyl)-N-cyclopropyl-3-methyl-1,2-oxazole-5-carboxamide
PubChem CID76930113
Molecular FormulaC11H16N4O3
Molecular Weight252.27 g/mol
Exact Mass252.12
IUPAC NameN-(3-amino-3-hydroxyiminopropyl)-N-cyclopropyl-3-methyl-1,2-oxazole-5-carboxamide
SMILESCc1cc(C(=O)N(CCC(N)=NO)C2CC2)on1
InChIInChI=1S/C11H16N4O3/c1-7-6-9(18-14-7)11(16)15(8-2-3-8)5-4-10(12)13-17/h6,8,17H,2-5H2,1H3,(H2,12,13)
InChIKeyYXCRKGWAAIKEPK-UHFFFAOYSA-N
XLogP0.72
TPSA104.95 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 50.72
H-Bond Donors ≤ 52
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-(3-amino-3-hydroxyiminopropyl)-N,3-dimethyl-1,2-oxazole-5-carboxamide
CID 76930119
N-(3-amino-3-hydroxyiminopropyl)-3-methyl-1,2-oxazole-5-carboxamide
CID 76952846
N-(2-bromoethyl)-N-cyclohexyl-3-methyl-1,2-oxazole-5-carboxamide
CID 80659426
N-(3-amino-3-hydroxyiminopropyl)-N-cyclopropyl-2-methyl-1,3-thiazole-4-carboxamide
CID 77059342
N-[(3E)-3-amino-3-hydroxyiminopropyl]-N-cyclopropylpyridine-4-carboxamide
CID 54997157
N-(3-amino-3-hydroxyiminopropyl)-N-cyclopropyl-2-fluoro-5-methylbenzamide
CID 76945662
N-(3-amino-3-hydroxyiminopropyl)-N-cyclopropyl-2,3-dimethylbenzamide
CID 76911641
N-cyclopropyl-N-[(4-methoxyphenyl)methyl]-3-methyl-1,2-oxazole-5-carboxamide
CID 78811217
N-(3-amino-3-hydroxyiminopropyl)-N-cyclopropyl-1H-pyrazole-4-carboxamide
CID 76983754
N-butyl-N-(1,1-dioxothiolan-3-yl)-3-methyl-1,2-oxazole-5-carboxamide
CID 134026793
N-[(3Z)-3-amino-3-hydroxyiminopropyl]-2-bromo-N-cyclopropyl-3-methylbenzamide
CID 107983677
N-(3-amino-3-hydroxyiminopropyl)-N-cyclopropyl-5-iodothiophene-3-carboxamide
CID 79683756

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-3-hydroxyiminopropyl)-N-cyclopropyl-3-methyl-1,2-oxazole-5-carboxamide?
The IUPAC name of N-(3-amino-3-hydroxyiminopropyl)-N-cyclopropyl-3-methyl-1,2-oxazole-5-carboxamide (CID 76930113) is N-(3-amino-3-hydroxyiminopropyl)-N-cyclopropyl-3-methyl-1,2-oxazole-5-carboxamide.
What is the SMILES notation for N-(3-amino-3-hydroxyiminopropyl)-N-cyclopropyl-3-methyl-1,2-oxazole-5-carboxamide?
The canonical SMILES for N-(3-amino-3-hydroxyiminopropyl)-N-cyclopropyl-3-methyl-1,2-oxazole-5-carboxamide is Cc1cc(C(=O)N(CCC(N)=NO)C2CC2)on1.
What is the InChIKey of N-(3-amino-3-hydroxyiminopropyl)-N-cyclopropyl-3-methyl-1,2-oxazole-5-carboxamide?
The InChIKey is YXCRKGWAAIKEPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O3/c1-7-6-9(18-14-7)11(16)15(8-2-3-8)5-4-10(12)13-17/h6,8,17H,2-5H2,1H3,(H2,12,13).
What are the key properties of N-(3-amino-3-hydroxyiminopropyl)-N-cyclopropyl-3-methyl-1,2-oxazole-5-carboxamide?
N-(3-amino-3-hydroxyiminopropyl)-N-cyclopropyl-3-methyl-1,2-oxazole-5-carboxamide has a molecular weight of 252.27 g/mol, XLogP of 0.72, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-3-hydroxyiminopropyl)-N-cyclopropyl-3-methyl-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 76930113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).