N-benzyl-3-(3,5-dichloro-4-methoxyphenyl)-5-methyl-1,2-oxazole-4-carboxamide

C19H16Cl2N2O3 — CID 4057151

IUPACN-benzyl-3-(3,5-dichloro-4-methoxyphenyl)-5-methyl-1,2-oxazole-4-carboxamide
SMILESCOc1c(Cl)cc(-c2noc(C)c2C(=O)NCc2ccccc2)cc1Cl
InChIInChI=1S/C19H16Cl2N2O3/c1-11-16(19(24)22-10-12-6-4-3-5-7-12)17(23-26-11)13-8-14(20)18(25-2)15(21)9-13/h3-9H,10H2,1-2H3,(H,22,24)
InChIKeyVUAUTLFOOFTVJG-UHFFFAOYSA-N
MW391.25 g/mol
LogP4.90
Rot. Bonds5

About N-benzyl-3-(3,5-dichloro-4-methoxyphenyl)-5-methyl-1,2-oxazole-4-carboxamide

N-benzyl-3-(3,5-dichloro-4-methoxyphenyl)-5-methyl-1,2-oxazole-4-carboxamide (PubChem CID 4057151) has the molecular formula C19H16Cl2N2O3 and a molecular weight of 391.25 g/mol. Its IUPAC name is N-benzyl-3-(3,5-dichloro-4-methoxyphenyl)-5-methyl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-benzyl-3-(3,5-dichloro-4-methoxyphenyl)-5-methyl-1,2-oxazole-4-carboxamide
PubChem CID4057151
Molecular FormulaC19H16Cl2N2O3
Molecular Weight391.25 g/mol
Exact Mass390.05
IUPAC NameN-benzyl-3-(3,5-dichloro-4-methoxyphenyl)-5-methyl-1,2-oxazole-4-carboxamide
SMILESCOc1c(Cl)cc(-c2noc(C)c2C(=O)NCc2ccccc2)cc1Cl
InChIInChI=1S/C19H16Cl2N2O3/c1-11-16(19(24)22-10-12-6-4-3-5-7-12)17(23-26-11)13-8-14(20)18(25-2)15(21)9-13/h3-9H,10H2,1-2H3,(H,22,24)
InChIKeyVUAUTLFOOFTVJG-UHFFFAOYSA-N
XLogP4.90
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.25
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3-Chloro-4-{4-[2-(2,4-dichloro-phenoxy)-ethylcarbamoyl]-5-phenyl-isoxazol-3-yl}-phenyl)-acetic acid
CID 11497604
N-[N'-[(3,5-dichlorophenyl)methyl]carbamimidoyl]-3-(4-methoxyphenyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 15941302
N-[N'-[(3,5-dichloro-4-hydroxyphenyl)methyl]carbamimidoyl]-3-(4-methoxyphenyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 15941577
3-(4-methoxyphenyl)-5-methyl-6-phenylisoxazolo[4,5-c]pyridin-4(5H)-one
CID 20305061
2-[4-[4-[2-(2,4-Dichlorophenoxy)ethylcarbamoyl]-5-phenyl-1,2-oxazol-3-yl]phenyl]acetic acid
CID 25263392
3-[3-[4-[2-(2,4-Dichlorophenoxy)ethylcarbamoyl]-5-phenyl-1,2-oxazol-3-yl]phenyl]propanoic acid
CID 25263395
2-(4-(4-((2-(2,4-Dichlorophenoxy)ethyl)carbamoyl)-5-isopropylisoxazol-3-yl)-3-chlorophenyl)acetic acid
CID 44414917
2-(3-Chloro-4-(5-cyclopropyl-4-((2-(2,4-dichlorophenoxy)ethyl)carbamoyl)isoxazol-3-yl)phenyl)acetic acid
CID 44414927
2-(4-(4-((2-(2,4-Dichlorophenoxy)ethyl)carbamoyl)-5-methylisoxazol-3-yl)-3-chlorophenyl)acetic acid
CID 44414967
2-(4-(4-((2-(2,4-Dichlorophenoxy)ethyl)carbamoyl)-5-ethylisoxazol-3-yl)-3-chlorophenyl)acetic acid
CID 44414968
N-((3-chloro-5-((E)-3-methoxyprop-1-enyl)benzylamino)(amino)methylene)-3-(4-methoxyphenyl)-5-methylisoxazole-4-carboxamide
CID 58771881
N-(1,3-benzodioxol-5-ylmethyl)-3-(3,5-dichloro-4-methoxyphenyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 3329236

Frequently Asked Questions

What is the IUPAC name of N-benzyl-3-(3,5-dichloro-4-methoxyphenyl)-5-methyl-1,2-oxazole-4-carboxamide?
The IUPAC name of N-benzyl-3-(3,5-dichloro-4-methoxyphenyl)-5-methyl-1,2-oxazole-4-carboxamide (CID 4057151) is N-benzyl-3-(3,5-dichloro-4-methoxyphenyl)-5-methyl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for N-benzyl-3-(3,5-dichloro-4-methoxyphenyl)-5-methyl-1,2-oxazole-4-carboxamide?
The canonical SMILES for N-benzyl-3-(3,5-dichloro-4-methoxyphenyl)-5-methyl-1,2-oxazole-4-carboxamide is COc1c(Cl)cc(-c2noc(C)c2C(=O)NCc2ccccc2)cc1Cl.
What is the InChIKey of N-benzyl-3-(3,5-dichloro-4-methoxyphenyl)-5-methyl-1,2-oxazole-4-carboxamide?
The InChIKey is VUAUTLFOOFTVJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16Cl2N2O3/c1-11-16(19(24)22-10-12-6-4-3-5-7-12)17(23-26-11)13-8-14(20)18(25-2)15(21)9-13/h3-9H,10H2,1-2H3,(H,22,24).
What are the key properties of N-benzyl-3-(3,5-dichloro-4-methoxyphenyl)-5-methyl-1,2-oxazole-4-carboxamide?
N-benzyl-3-(3,5-dichloro-4-methoxyphenyl)-5-methyl-1,2-oxazole-4-carboxamide has a molecular weight of 391.25 g/mol, XLogP of 4.90, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3-(3,5-dichloro-4-methoxyphenyl)-5-methyl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 4057151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).