(2E)-N-(2-chlorophenyl)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxyimino]acetamide

C14H14ClN3O3 — CID 42929179

IUPAC(2E)-N-(2-chlorophenyl)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxyimino]acetamide
SMILESCc1noc(C)c1CO/N=C/C(=O)Nc1ccccc1Cl
InChIInChI=1S/C14H14ClN3O3/c1-9-11(10(2)21-18-9)8-20-16-7-14(19)17-13-6-4-3-5-12(13)15/h3-7H,8H2,1-2H3,(H,17,19)/b16-7+
InChIKeyRIUPAZSQOLATKF-FRKPEAEDSA-N
MW307.74 g/mol
LogP3.09
Rot. Bonds5

About (2E)-N-(2-chlorophenyl)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxyimino]acetamide

(2E)-N-(2-chlorophenyl)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxyimino]acetamide (PubChem CID 42929179) has the molecular formula C14H14ClN3O3 and a molecular weight of 307.74 g/mol. Its IUPAC name is (2E)-N-(2-chlorophenyl)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxyimino]acetamide.

Molecular Properties

Compound Name(2E)-N-(2-chlorophenyl)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxyimino]acetamide
PubChem CID42929179
Molecular FormulaC14H14ClN3O3
Molecular Weight307.74 g/mol
Exact Mass307.07
IUPAC Name(2E)-N-(2-chlorophenyl)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxyimino]acetamide
SMILESCc1noc(C)c1CO/N=C/C(=O)Nc1ccccc1Cl
InChIInChI=1S/C14H14ClN3O3/c1-9-11(10(2)21-18-9)8-20-16-7-14(19)17-13-6-4-3-5-12(13)15/h3-7H,8H2,1-2H3,(H,17,19)/b16-7+
InChIKeyRIUPAZSQOLATKF-FRKPEAEDSA-N
XLogP3.09
TPSA76.72 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.74
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(2-chlorophenyl)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]acetamide
CID 18168523
N-[3-chloro-2-(dimethylamino)phenyl]-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide
CID 55763182
N-(2,3-dichlorophenyl)-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide
CID 135338189
[2-[[2-(2-chloroanilino)-2-oxoethyl]-methylamino]-2-oxoethyl] 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoate
CID 55308289
(E)-N-(2,4-dichlorophenyl)-3-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxyphenyl]prop-2-enamide
CID 35539849
N-(3-chloro-2-fluorophenyl)-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide
CID 9146267
(3,5-dimethyl-1,2-oxazol-4-yl)methyl 2-[(2-chlorobenzoyl)amino]-4,5-dimethoxybenzoate
CID 31133315
(E)-N-(5-acetamido-2-chlorophenyl)-3-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxyphenyl]prop-2-enamide
CID 55915825
2-[3-[3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-4-methoxyphenyl]prop-2-enoylamino]benzoic acid
CID 74334429
2-[[(E)-3-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxyphenyl]prop-2-enoyl]amino]benzoic acid
CID 135290061
N-[4-chloro-2-(2-chlorobenzoyl)phenyl]-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide
CID 4841213
[2-(3-chloro-2-methylanilino)-2-oxoethyl] 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]acetate
CID 7362480

Frequently Asked Questions

What is the IUPAC name of (2E)-N-(2-chlorophenyl)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxyimino]acetamide?
The IUPAC name of (2E)-N-(2-chlorophenyl)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxyimino]acetamide (CID 42929179) is (2E)-N-(2-chlorophenyl)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxyimino]acetamide.
What is the SMILES notation for (2E)-N-(2-chlorophenyl)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxyimino]acetamide?
The canonical SMILES for (2E)-N-(2-chlorophenyl)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxyimino]acetamide is Cc1noc(C)c1CO/N=C/C(=O)Nc1ccccc1Cl.
What is the InChIKey of (2E)-N-(2-chlorophenyl)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxyimino]acetamide?
The InChIKey is RIUPAZSQOLATKF-FRKPEAEDSA-N. The full InChI is InChI=1S/C14H14ClN3O3/c1-9-11(10(2)21-18-9)8-20-16-7-14(19)17-13-6-4-3-5-12(13)15/h3-7H,8H2,1-2H3,(H,17,19)/b16-7+.
What are the key properties of (2E)-N-(2-chlorophenyl)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxyimino]acetamide?
(2E)-N-(2-chlorophenyl)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxyimino]acetamide has a molecular weight of 307.74 g/mol, XLogP of 3.09, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-N-(2-chlorophenyl)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxyimino]acetamide is sourced from PubChem (CID 42929179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).