4-(3,4-dichlorophenyl)-4-(methoxyamino)-N-(1,2-oxazol-3-yl)but-3-enamide

C14H13Cl2N3O3 — CID 91400354

IUPAC4-(3,4-dichlorophenyl)-4-(methoxyamino)-N-(1,2-oxazol-3-yl)but-3-enamide
SMILESCONC(=CCC(=O)Nc1ccon1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C14H13Cl2N3O3/c1-21-18-12(9-2-3-10(15)11(16)8-9)4-5-14(20)17-13-6-7-22-19-13/h2-4,6-8,18H,5H2,1H3,(H,17,19,20)
InChIKeySKRBHNDNVJFWNZ-UHFFFAOYSA-N
MW342.18 g/mol
LogP3.50
Rot. Bonds6

About 4-(3,4-dichlorophenyl)-4-(methoxyamino)-N-(1,2-oxazol-3-yl)but-3-enamide

4-(3,4-dichlorophenyl)-4-(methoxyamino)-N-(1,2-oxazol-3-yl)but-3-enamide (PubChem CID 91400354) has the molecular formula C14H13Cl2N3O3 and a molecular weight of 342.18 g/mol. Its IUPAC name is 4-(3,4-dichlorophenyl)-4-(methoxyamino)-N-(1,2-oxazol-3-yl)but-3-enamide.

Molecular Properties

Compound Name4-(3,4-dichlorophenyl)-4-(methoxyamino)-N-(1,2-oxazol-3-yl)but-3-enamide
PubChem CID91400354
Molecular FormulaC14H13Cl2N3O3
Molecular Weight342.18 g/mol
Exact Mass341.03
IUPAC Name4-(3,4-dichlorophenyl)-4-(methoxyamino)-N-(1,2-oxazol-3-yl)but-3-enamide
SMILESCONC(=CCC(=O)Nc1ccon1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C14H13Cl2N3O3/c1-21-18-12(9-2-3-10(15)11(16)8-9)4-5-14(20)17-13-6-7-22-19-13/h2-4,6-8,18H,5H2,1H3,(H,17,19,20)
InChIKeySKRBHNDNVJFWNZ-UHFFFAOYSA-N
XLogP3.50
TPSA76.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.18
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-(3,4-dichlorophenyl)-5-(methoxyamino)pent-4-enamide
CID 90976881
5-(3,4-dichlorophenyl)-5-(methoxyamino)pent-4-enoic acid
CID 91151521
1-(3,4-dichlorophenyl)-N-methoxy-3-nitroprop-1-en-1-amine
CID 91024245
N-(1,2-oxazol-3-yl)-3-oxobutanamide
CID 62902230
1-(3-chloro-4-methoxyphenyl)-3-(1,2-oxazol-3-yl)urea
CID 108811787
4-amino-N-(1,2-oxazol-3-yl)butanamide
CID 62903598
(2S)-2-(4-chloro-3-methylphenoxy)-N-(1,2-oxazol-3-yl)butanamide
CID 27233481
3,4-dimethoxy-N-(1,2-oxazol-3-yl)benzamide
CID 17217711
[2-(1,2-oxazol-3-ylamino)-2-oxoethyl] 4-formylbenzoate
CID 16595646
[2-(1,2-oxazol-3-ylamino)-2-oxoethyl] (E)-3-(3-chloro-4,5-dimethoxyphenyl)prop-2-enoate
CID 16593288
methyl 2-(1,2-oxazol-3-ylamino)-2-oxoacetate
CID 112617179
[2-(1,2-oxazol-3-ylamino)-2-oxoethyl] (E)-3-(2,4-dichlorophenyl)prop-2-enoate
CID 16595484

Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dichlorophenyl)-4-(methoxyamino)-N-(1,2-oxazol-3-yl)but-3-enamide?
The IUPAC name of 4-(3,4-dichlorophenyl)-4-(methoxyamino)-N-(1,2-oxazol-3-yl)but-3-enamide (CID 91400354) is 4-(3,4-dichlorophenyl)-4-(methoxyamino)-N-(1,2-oxazol-3-yl)but-3-enamide.
What is the SMILES notation for 4-(3,4-dichlorophenyl)-4-(methoxyamino)-N-(1,2-oxazol-3-yl)but-3-enamide?
The canonical SMILES for 4-(3,4-dichlorophenyl)-4-(methoxyamino)-N-(1,2-oxazol-3-yl)but-3-enamide is CONC(=CCC(=O)Nc1ccon1)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 4-(3,4-dichlorophenyl)-4-(methoxyamino)-N-(1,2-oxazol-3-yl)but-3-enamide?
The InChIKey is SKRBHNDNVJFWNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13Cl2N3O3/c1-21-18-12(9-2-3-10(15)11(16)8-9)4-5-14(20)17-13-6-7-22-19-13/h2-4,6-8,18H,5H2,1H3,(H,17,19,20).
What are the key properties of 4-(3,4-dichlorophenyl)-4-(methoxyamino)-N-(1,2-oxazol-3-yl)but-3-enamide?
4-(3,4-dichlorophenyl)-4-(methoxyamino)-N-(1,2-oxazol-3-yl)but-3-enamide has a molecular weight of 342.18 g/mol, XLogP of 3.50, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-dichlorophenyl)-4-(methoxyamino)-N-(1,2-oxazol-3-yl)but-3-enamide is sourced from PubChem (CID 91400354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).