N-[3,5-dichloro-4-(2-methoxyethoxy)phenyl]-1,2-oxazole-3-carboxamide

C13H12Cl2N2O4 — CID 86782052

IUPACN-[3,5-dichloro-4-(2-methoxyethoxy)phenyl]-1,2-oxazole-3-carboxamide
SMILESCOCCOc1c(Cl)cc(NC(=O)c2ccon2)cc1Cl
InChIInChI=1S/C13H12Cl2N2O4/c1-19-4-5-20-12-9(14)6-8(7-10(12)15)16-13(18)11-2-3-21-17-11/h2-3,6-7H,4-5H2,1H3,(H,16,18)
InChIKeyHZVMPXPGUUOURU-UHFFFAOYSA-N
MW331.16 g/mol
LogP3.26
Rot. Bonds6

About N-[3,5-dichloro-4-(2-methoxyethoxy)phenyl]-1,2-oxazole-3-carboxamide

N-[3,5-dichloro-4-(2-methoxyethoxy)phenyl]-1,2-oxazole-3-carboxamide (PubChem CID 86782052) has the molecular formula C13H12Cl2N2O4 and a molecular weight of 331.16 g/mol. Its IUPAC name is N-[3,5-dichloro-4-(2-methoxyethoxy)phenyl]-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[3,5-dichloro-4-(2-methoxyethoxy)phenyl]-1,2-oxazole-3-carboxamide
PubChem CID86782052
Molecular FormulaC13H12Cl2N2O4
Molecular Weight331.16 g/mol
Exact Mass330.02
IUPAC NameN-[3,5-dichloro-4-(2-methoxyethoxy)phenyl]-1,2-oxazole-3-carboxamide
SMILESCOCCOc1c(Cl)cc(NC(=O)c2ccon2)cc1Cl
InChIInChI=1S/C13H12Cl2N2O4/c1-19-4-5-20-12-9(14)6-8(7-10(12)15)16-13(18)11-2-3-21-17-11/h2-3,6-7H,4-5H2,1H3,(H,16,18)
InChIKeyHZVMPXPGUUOURU-UHFFFAOYSA-N
XLogP3.26
TPSA73.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.16
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

methyl 5-chloro-2-(1,2-oxazole-3-carbonylamino)pyridine-4-carboxylate
CID 162357260
2-[4-(1,2-oxazole-3-carbonylamino)phenoxy]acetic acid
CID 63745197
N-[4-(chloromethyl)phenyl]-1,2-oxazole-3-carboxamide
CID 114299970
(2S,4S)-N-[3,5-dichloro-4-(2-methoxyethoxy)phenyl]-2-methylpiperidine-4-carboxamide
CID 120641196
4-butoxy-3,5-dichloro-N-(3,4-dichlorophenyl)benzamide
CID 18848325
N-[3-(2-amino-2-hydroxyiminoethoxy)phenyl]-1,2-oxazole-3-carboxamide
CID 76930127
(3S)-N-[3,5-dichloro-4-(2-methoxyethoxy)phenyl]-3-hydroxypyrrolidine-1-carboxamide
CID 129372498
2-[3,5-dichloro-4-(2-methoxyethoxy)anilino]benzoic acid
CID 11602849
N-(3-chloropyrazin-2-yl)-1,2-oxazole-3-carboxamide
CID 102989094
N-propan-2-yloxy-1,2-oxazole-3-carboxamide
CID 130688341
N-(2,6-diethylphenyl)-1,2-oxazole-3-carboxamide
CID 110858252
5-(1,2-oxazole-3-carbonylamino)pyridine-3-carboxylic acid
CID 63154305

Frequently Asked Questions

What is the IUPAC name of N-[3,5-dichloro-4-(2-methoxyethoxy)phenyl]-1,2-oxazole-3-carboxamide?
The IUPAC name of N-[3,5-dichloro-4-(2-methoxyethoxy)phenyl]-1,2-oxazole-3-carboxamide (CID 86782052) is N-[3,5-dichloro-4-(2-methoxyethoxy)phenyl]-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-[3,5-dichloro-4-(2-methoxyethoxy)phenyl]-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[3,5-dichloro-4-(2-methoxyethoxy)phenyl]-1,2-oxazole-3-carboxamide is COCCOc1c(Cl)cc(NC(=O)c2ccon2)cc1Cl.
What is the InChIKey of N-[3,5-dichloro-4-(2-methoxyethoxy)phenyl]-1,2-oxazole-3-carboxamide?
The InChIKey is HZVMPXPGUUOURU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12Cl2N2O4/c1-19-4-5-20-12-9(14)6-8(7-10(12)15)16-13(18)11-2-3-21-17-11/h2-3,6-7H,4-5H2,1H3,(H,16,18).
What are the key properties of N-[3,5-dichloro-4-(2-methoxyethoxy)phenyl]-1,2-oxazole-3-carboxamide?
N-[3,5-dichloro-4-(2-methoxyethoxy)phenyl]-1,2-oxazole-3-carboxamide has a molecular weight of 331.16 g/mol, XLogP of 3.26, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3,5-dichloro-4-(2-methoxyethoxy)phenyl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 86782052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).