N-[2-(2-amino-2-hydroxyiminoethoxy)phenyl]-5-methyl-1,2-oxazole-3-carboxamide

C13H14N4O4 — CID 77113421

IUPACN-[2-(2-amino-2-hydroxyiminoethoxy)phenyl]-5-methyl-1,2-oxazole-3-carboxamide
SMILESCc1cc(C(=O)Nc2ccccc2OCC(N)=NO)no1
InChIInChI=1S/C13H14N4O4/c1-8-6-10(17-21-8)13(18)15-9-4-2-3-5-11(9)20-7-12(14)16-19/h2-6,19H,7H2,1H3,(H2,14,16)(H,15,18)
InChIKeyQASUHHWFWNDDHQ-UHFFFAOYSA-N
MW290.28 g/mol
LogP1.36
Rot. Bonds5

About N-[2-(2-amino-2-hydroxyiminoethoxy)phenyl]-5-methyl-1,2-oxazole-3-carboxamide

N-[2-(2-amino-2-hydroxyiminoethoxy)phenyl]-5-methyl-1,2-oxazole-3-carboxamide (PubChem CID 77113421) has the molecular formula C13H14N4O4 and a molecular weight of 290.28 g/mol. Its IUPAC name is N-[2-(2-amino-2-hydroxyiminoethoxy)phenyl]-5-methyl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[2-(2-amino-2-hydroxyiminoethoxy)phenyl]-5-methyl-1,2-oxazole-3-carboxamide
PubChem CID77113421
Molecular FormulaC13H14N4O4
Molecular Weight290.28 g/mol
Exact Mass290.10
IUPAC NameN-[2-(2-amino-2-hydroxyiminoethoxy)phenyl]-5-methyl-1,2-oxazole-3-carboxamide
SMILESCc1cc(C(=O)Nc2ccccc2OCC(N)=NO)no1
InChIInChI=1S/C13H14N4O4/c1-8-6-10(17-21-8)13(18)15-9-4-2-3-5-11(9)20-7-12(14)16-19/h2-6,19H,7H2,1H3,(H2,14,16)(H,15,18)
InChIKeyQASUHHWFWNDDHQ-UHFFFAOYSA-N
XLogP1.36
TPSA122.97 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.28
LogP ≤ 51.36
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-[2-(2-amino-2-hydroxyiminoethoxy)phenyl]-1H-pyrazole-4-carboxamide
CID 76983819
5-methyl-N-(2-propan-2-yloxyphenyl)-1,2-oxazole-3-carboxamide
CID 38999572
N-[4-[(Z)-N'-hydroxycarbamimidoyl]-2-methoxyphenyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 104849872
2-[2-[(3-methyl-1,2-oxazole-5-carbonyl)amino]phenoxy]acetic acid
CID 63747201
N-[4-(2-amino-2-sulfanylideneethoxy)phenyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 66158522
N-(2-ethoxyphenyl)-2-[(5-methyl-1,2-oxazol-3-yl)amino]acetamide
CID 109009181
6-[(5-methyl-1,2-oxazol-3-yl)amino]-N-(2-propan-2-yloxyphenyl)pyridazine-3-carboxamide
CID 109129623
2-[(5-methyl-1,2-oxazol-3-yl)oxy]-N-(2-propoxyphenyl)acetamide
CID 30994014
5-methyl-N-pyridin-2-yl-1,2-oxazole-3-carboxamide
CID 1247385
5-[(5-methyl-1,2-oxazol-3-yl)amino]-N-(2-phenoxyphenyl)pyridine-2-carboxamide
CID 109200821
2-[2-[(5-methylfuran-3-carbonyl)amino]phenoxy]acetic acid
CID 114819008
5-cyclopropyl-N-(2-propoxyphenyl)-1,2-oxazole-3-carboxamide
CID 34345755

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-amino-2-hydroxyiminoethoxy)phenyl]-5-methyl-1,2-oxazole-3-carboxamide?
The IUPAC name of N-[2-(2-amino-2-hydroxyiminoethoxy)phenyl]-5-methyl-1,2-oxazole-3-carboxamide (CID 77113421) is N-[2-(2-amino-2-hydroxyiminoethoxy)phenyl]-5-methyl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-[2-(2-amino-2-hydroxyiminoethoxy)phenyl]-5-methyl-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[2-(2-amino-2-hydroxyiminoethoxy)phenyl]-5-methyl-1,2-oxazole-3-carboxamide is Cc1cc(C(=O)Nc2ccccc2OCC(N)=NO)no1.
What is the InChIKey of N-[2-(2-amino-2-hydroxyiminoethoxy)phenyl]-5-methyl-1,2-oxazole-3-carboxamide?
The InChIKey is QASUHHWFWNDDHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O4/c1-8-6-10(17-21-8)13(18)15-9-4-2-3-5-11(9)20-7-12(14)16-19/h2-6,19H,7H2,1H3,(H2,14,16)(H,15,18).
What are the key properties of N-[2-(2-amino-2-hydroxyiminoethoxy)phenyl]-5-methyl-1,2-oxazole-3-carboxamide?
N-[2-(2-amino-2-hydroxyiminoethoxy)phenyl]-5-methyl-1,2-oxazole-3-carboxamide has a molecular weight of 290.28 g/mol, XLogP of 1.36, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-amino-2-hydroxyiminoethoxy)phenyl]-5-methyl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 77113421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).