N-(2-amino-4,5-dichlorophenyl)-5-methyl-2-phenyl-1,3-oxazole-4-carboxamide

C17H13Cl2N3O2 — CID 90882730

IUPACN-(2-amino-4,5-dichlorophenyl)-5-methyl-2-phenyl-1,3-oxazole-4-carboxamide
SMILESCc1oc(-c2ccccc2)nc1C(=O)Nc1cc(Cl)c(Cl)cc1N
InChIInChI=1S/C17H13Cl2N3O2/c1-9-15(22-17(24-9)10-5-3-2-4-6-10)16(23)21-14-8-12(19)11(18)7-13(14)20/h2-8H,20H2,1H3,(H,21,23)
InChIKeyMVWBQXZPCKJDGX-UHFFFAOYSA-N
MW362.22 g/mol
LogP4.79
Rot. Bonds3

About N-(2-amino-4,5-dichlorophenyl)-5-methyl-2-phenyl-1,3-oxazole-4-carboxamide

N-(2-amino-4,5-dichlorophenyl)-5-methyl-2-phenyl-1,3-oxazole-4-carboxamide (PubChem CID 90882730) has the molecular formula C17H13Cl2N3O2 and a molecular weight of 362.22 g/mol. Its IUPAC name is N-(2-amino-4,5-dichlorophenyl)-5-methyl-2-phenyl-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-(2-amino-4,5-dichlorophenyl)-5-methyl-2-phenyl-1,3-oxazole-4-carboxamide
PubChem CID90882730
Molecular FormulaC17H13Cl2N3O2
Molecular Weight362.22 g/mol
Exact Mass361.04
IUPAC NameN-(2-amino-4,5-dichlorophenyl)-5-methyl-2-phenyl-1,3-oxazole-4-carboxamide
SMILESCc1oc(-c2ccccc2)nc1C(=O)Nc1cc(Cl)c(Cl)cc1N
InChIInChI=1S/C17H13Cl2N3O2/c1-9-15(22-17(24-9)10-5-3-2-4-6-10)16(23)21-14-8-12(19)11(18)7-13(14)20/h2-8H,20H2,1H3,(H,21,23)
InChIKeyMVWBQXZPCKJDGX-UHFFFAOYSA-N
XLogP4.79
TPSA81.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.22
LogP ≤ 54.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2,4-difluorophenyl)-5-methyl-2-phenyl-1,3-oxazole-4-carboxamide
CID 26360076
N'-(2-chlorobenzoyl)-5-methyl-2-phenyl-1,3-oxazole-4-carbohydrazide
CID 35931956
N-(3-chloro-4-methoxyphenyl)-5-methyl-2-phenyl-1,3-oxazole-4-carboxamide
CID 26735908
N-(4-fluorophenyl)-5-methyl-2-phenyl-1,3-oxazole-4-carboxamide
CID 17393566
5-methyl-N-[2-(4-methylpiperazin-4-ium-1-yl)phenyl]-2-phenyl-1,3-oxazole-4-carboxamide
CID 9118759
5-methyl-2-phenyl-N-(3,4,5-trimethoxyphenyl)-1,3-oxazole-4-carboxamide
CID 17396165
5-methyl-2-phenyl-N-(2-piperidin-1-ylsulfonylphenyl)-1,3-oxazole-4-carboxamide
CID 55817626
N-(2-chlorophenyl)-2-(2-fluorophenyl)-5-methyl-1,3-oxazole-4-carboxamide
CID 119041914
5-methyl-N-(1-methylpyrazol-4-yl)-2-phenyl-1,3-oxazole-4-carboxamide
CID 32606809
N-(2-chloro-4-methylphenyl)-5-cyclopropyl-2-phenyl-1,3-oxazole-4-carboxamide
CID 86840936
5-methyl-2-phenyl-N-[3-(propan-2-ylcarbamoylamino)phenyl]-1,3-oxazole-4-carboxamide
CID 31888702
5-methyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-2-phenyl-1,3-oxazole-4-carboxamide
CID 24560242

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-4,5-dichlorophenyl)-5-methyl-2-phenyl-1,3-oxazole-4-carboxamide?
The IUPAC name of N-(2-amino-4,5-dichlorophenyl)-5-methyl-2-phenyl-1,3-oxazole-4-carboxamide (CID 90882730) is N-(2-amino-4,5-dichlorophenyl)-5-methyl-2-phenyl-1,3-oxazole-4-carboxamide.
What is the SMILES notation for N-(2-amino-4,5-dichlorophenyl)-5-methyl-2-phenyl-1,3-oxazole-4-carboxamide?
The canonical SMILES for N-(2-amino-4,5-dichlorophenyl)-5-methyl-2-phenyl-1,3-oxazole-4-carboxamide is Cc1oc(-c2ccccc2)nc1C(=O)Nc1cc(Cl)c(Cl)cc1N.
What is the InChIKey of N-(2-amino-4,5-dichlorophenyl)-5-methyl-2-phenyl-1,3-oxazole-4-carboxamide?
The InChIKey is MVWBQXZPCKJDGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13Cl2N3O2/c1-9-15(22-17(24-9)10-5-3-2-4-6-10)16(23)21-14-8-12(19)11(18)7-13(14)20/h2-8H,20H2,1H3,(H,21,23).
What are the key properties of N-(2-amino-4,5-dichlorophenyl)-5-methyl-2-phenyl-1,3-oxazole-4-carboxamide?
N-(2-amino-4,5-dichlorophenyl)-5-methyl-2-phenyl-1,3-oxazole-4-carboxamide has a molecular weight of 362.22 g/mol, XLogP of 4.79, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-4,5-dichlorophenyl)-5-methyl-2-phenyl-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 90882730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).