N-(2-amino-2-hydroxyiminoethyl)-5-(methoxymethyl)-N-propyl-1,2-oxazole-3-carboxamide

C11H18N4O4 — CID 77113397

IUPACN-(2-amino-2-hydroxyiminoethyl)-5-(methoxymethyl)-N-propyl-1,2-oxazole-3-carboxamide
SMILESCCCN(CC(N)=NO)C(=O)c1cc(COC)on1
InChIInChI=1S/C11H18N4O4/c1-3-4-15(6-10(12)13-17)11(16)9-5-8(7-18-2)19-14-9/h5,17H,3-4,6-7H2,1-2H3,(H2,12,13)
InChIKeyHFYODCULSNMPKN-UHFFFAOYSA-N
MW270.29 g/mol
LogP0.42
Rot. Bonds7

About N-(2-amino-2-hydroxyiminoethyl)-5-(methoxymethyl)-N-propyl-1,2-oxazole-3-carboxamide

N-(2-amino-2-hydroxyiminoethyl)-5-(methoxymethyl)-N-propyl-1,2-oxazole-3-carboxamide (PubChem CID 77113397) has the molecular formula C11H18N4O4 and a molecular weight of 270.29 g/mol. Its IUPAC name is N-(2-amino-2-hydroxyiminoethyl)-5-(methoxymethyl)-N-propyl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-(2-amino-2-hydroxyiminoethyl)-5-(methoxymethyl)-N-propyl-1,2-oxazole-3-carboxamide
PubChem CID77113397
Molecular FormulaC11H18N4O4
Molecular Weight270.29 g/mol
Exact Mass270.13
IUPAC NameN-(2-amino-2-hydroxyiminoethyl)-5-(methoxymethyl)-N-propyl-1,2-oxazole-3-carboxamide
SMILESCCCN(CC(N)=NO)C(=O)c1cc(COC)on1
InChIInChI=1S/C11H18N4O4/c1-3-4-15(6-10(12)13-17)11(16)9-5-8(7-18-2)19-14-9/h5,17H,3-4,6-7H2,1-2H3,(H2,12,13)
InChIKeyHFYODCULSNMPKN-UHFFFAOYSA-N
XLogP0.42
TPSA114.18 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.29
LogP ≤ 50.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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-butyl-N-(2-hydroxyethyl)-5-(methoxymethyl)-1,2-oxazole-3-carboxamide
CID 66157570
5-(methoxymethyl)-N-propyl-N-(pyrrolidin-2-ylmethyl)-1,2-oxazole-3-carboxamide
CID 106610655
N-(1-amino-1-hydroxyiminopropan-2-yl)-5-(methoxymethyl)-1,2-oxazole-3-carboxamide
CID 77113433
N-[(2Z)-2-amino-2-hydroxyiminoethyl]-3,4-dihydroxy-N-propylbenzamide
CID 107728907
N-(2-bromoethyl)-5-(methoxymethyl)-N-propan-2-yl-1,2-oxazole-3-carboxamide
CID 80666209
N-(2-chloroethyl)-N-(2,2-difluoroethyl)-5-(methoxymethyl)-1,2-oxazole-3-carboxamide
CID 107490905
5-(methoxymethyl)-N-piperidin-4-yl-N-propyl-1,2-oxazole-3-carboxamide;hydrochloride
CID 119824672
N-(2-amino-2-hydroxyiminoethyl)-3,4-difluoro-N-propylbenzamide
CID 76927636
N-(2-amino-2-hydroxyiminoethyl)-N-propyl-1H-pyrazole-5-carboxamide
CID 76983799
N-(2-amino-2-hydroxyiminoethyl)-2,4,5-trimethyl-N-propylfuran-3-carboxamide
CID 77057567
N-(2-amino-2-hydroxyiminoethyl)-6-methyl-N-propylpyridine-3-carboxamide
CID 76927706
N-(4-aminophenyl)-N-ethyl-5-(methoxymethyl)-1,2-oxazole-3-carboxamide
CID 66157522

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-hydroxyiminoethyl)-5-(methoxymethyl)-N-propyl-1,2-oxazole-3-carboxamide?
The IUPAC name of N-(2-amino-2-hydroxyiminoethyl)-5-(methoxymethyl)-N-propyl-1,2-oxazole-3-carboxamide (CID 77113397) is N-(2-amino-2-hydroxyiminoethyl)-5-(methoxymethyl)-N-propyl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-(2-amino-2-hydroxyiminoethyl)-5-(methoxymethyl)-N-propyl-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-(2-amino-2-hydroxyiminoethyl)-5-(methoxymethyl)-N-propyl-1,2-oxazole-3-carboxamide is CCCN(CC(N)=NO)C(=O)c1cc(COC)on1.
What is the InChIKey of N-(2-amino-2-hydroxyiminoethyl)-5-(methoxymethyl)-N-propyl-1,2-oxazole-3-carboxamide?
The InChIKey is HFYODCULSNMPKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O4/c1-3-4-15(6-10(12)13-17)11(16)9-5-8(7-18-2)19-14-9/h5,17H,3-4,6-7H2,1-2H3,(H2,12,13).
What are the key properties of N-(2-amino-2-hydroxyiminoethyl)-5-(methoxymethyl)-N-propyl-1,2-oxazole-3-carboxamide?
N-(2-amino-2-hydroxyiminoethyl)-5-(methoxymethyl)-N-propyl-1,2-oxazole-3-carboxamide has a molecular weight of 270.29 g/mol, XLogP of 0.42, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-hydroxyiminoethyl)-5-(methoxymethyl)-N-propyl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 77113397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).