N-[3-(2-amino-2-hydroxyiminoethoxy)phenyl]-1,2-oxazole-3-carboxamide

C12H12N4O4 — CID 76930127

IUPACN-[3-(2-amino-2-hydroxyiminoethoxy)phenyl]-1,2-oxazole-3-carboxamide
SMILESNC(COc1cccc(NC(=O)c2ccon2)c1)=NO
InChIInChI=1S/C12H12N4O4/c13-11(15-18)7-19-9-3-1-2-8(6-9)14-12(17)10-4-5-20-16-10/h1-6,18H,7H2,(H2,13,15)(H,14,17)
InChIKeySZDGONKTIXDITN-UHFFFAOYSA-N
MW276.25 g/mol
LogP1.05
Rot. Bonds5

About N-[3-(2-amino-2-hydroxyiminoethoxy)phenyl]-1,2-oxazole-3-carboxamide

N-[3-(2-amino-2-hydroxyiminoethoxy)phenyl]-1,2-oxazole-3-carboxamide (PubChem CID 76930127) has the molecular formula C12H12N4O4 and a molecular weight of 276.25 g/mol. Its IUPAC name is N-[3-(2-amino-2-hydroxyiminoethoxy)phenyl]-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[3-(2-amino-2-hydroxyiminoethoxy)phenyl]-1,2-oxazole-3-carboxamide
PubChem CID76930127
Molecular FormulaC12H12N4O4
Molecular Weight276.25 g/mol
Exact Mass276.09
IUPAC NameN-[3-(2-amino-2-hydroxyiminoethoxy)phenyl]-1,2-oxazole-3-carboxamide
SMILESNC(COc1cccc(NC(=O)c2ccon2)c1)=NO
InChIInChI=1S/C12H12N4O4/c13-11(15-18)7-19-9-3-1-2-8(6-9)14-12(17)10-4-5-20-16-10/h1-6,18H,7H2,(H2,13,15)(H,14,17)
InChIKeySZDGONKTIXDITN-UHFFFAOYSA-N
XLogP1.05
TPSA122.97 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.25
LogP ≤ 51.05
H-Bond Donors ≤ 53
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-[3-(2-amino-2-hydroxyiminoethoxy)phenyl]-2,2-dimethylbutanamide
CID 76953556
N-[3-(2-amino-2-hydroxyiminoethoxy)phenyl]-1H-pyrazole-5-carboxamide
CID 76983796
N-[3-[(2Z)-2-amino-2-hydroxyiminoethoxy]phenyl]-5-methyloxolane-2-carboxamide
CID 81330665
2-[4-(1,2-oxazole-3-carbonylamino)phenoxy]acetic acid
CID 63745197
N-[3-(2-amino-2-oxoethoxy)phenyl]-5-chloro-1,3,4-thiadiazole-2-carboxamide
CID 80625856
2-[3-[(4-chloropyridine-2-carbonyl)amino]phenoxy]acetic acid
CID 61058340
N-[3-(1,2-oxazol-3-ylmethoxy)phenyl]acetamide
CID 26435226
N-[3,5-dichloro-4-(2-methoxyethoxy)phenyl]-1,2-oxazole-3-carboxamide
CID 86782052
N-[3-(2-amino-2-oxoethoxy)phenyl]-2-(4-chlorophenyl)-1,3-thiazole-4-carboxamide
CID 33266017
N'-hydroxy-2-[3-(2-methylpropylsulfamoylamino)phenoxy]ethanimidamide
CID 114816568
N-[3-(2-amino-2-oxoethoxy)phenyl]-3-oxobutanamide
CID 61251264
N-[3-(2-amino-2-sulfanylideneethoxy)phenyl]-2-methylfuran-3-carboxamide
CID 43369436

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-amino-2-hydroxyiminoethoxy)phenyl]-1,2-oxazole-3-carboxamide?
The IUPAC name of N-[3-(2-amino-2-hydroxyiminoethoxy)phenyl]-1,2-oxazole-3-carboxamide (CID 76930127) is N-[3-(2-amino-2-hydroxyiminoethoxy)phenyl]-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-[3-(2-amino-2-hydroxyiminoethoxy)phenyl]-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[3-(2-amino-2-hydroxyiminoethoxy)phenyl]-1,2-oxazole-3-carboxamide is NC(COc1cccc(NC(=O)c2ccon2)c1)=NO.
What is the InChIKey of N-[3-(2-amino-2-hydroxyiminoethoxy)phenyl]-1,2-oxazole-3-carboxamide?
The InChIKey is SZDGONKTIXDITN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N4O4/c13-11(15-18)7-19-9-3-1-2-8(6-9)14-12(17)10-4-5-20-16-10/h1-6,18H,7H2,(H2,13,15)(H,14,17).
What are the key properties of N-[3-(2-amino-2-hydroxyiminoethoxy)phenyl]-1,2-oxazole-3-carboxamide?
N-[3-(2-amino-2-hydroxyiminoethoxy)phenyl]-1,2-oxazole-3-carboxamide has a molecular weight of 276.25 g/mol, XLogP of 1.05, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-amino-2-hydroxyiminoethoxy)phenyl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 76930127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).