1-butyl-5-[3-(2,4-dichlorophenyl)-1,2-oxazol-5-yl]-2-methylpyrrole-3-carboxamide

C19H19Cl2N3O2 — CID 3735207

IUPAC1-butyl-5-[3-(2,4-dichlorophenyl)-1,2-oxazol-5-yl]-2-methylpyrrole-3-carboxamide
SMILESCCCCn1c(-c2cc(-c3ccc(Cl)cc3Cl)no2)cc(C(N)=O)c1C
InChIInChI=1S/C19H19Cl2N3O2/c1-3-4-7-24-11(2)14(19(22)25)9-17(24)18-10-16(23-26-18)13-6-5-12(20)8-15(13)21/h5-6,8-10H,3-4,7H2,1-2H3,(H2,22,25)
InChIKeyQSSMGJULESFHSS-UHFFFAOYSA-N
MW392.29 g/mol
LogP5.32
Rot. Bonds6

About 1-butyl-5-[3-(2,4-dichlorophenyl)-1,2-oxazol-5-yl]-2-methylpyrrole-3-carboxamide

1-butyl-5-[3-(2,4-dichlorophenyl)-1,2-oxazol-5-yl]-2-methylpyrrole-3-carboxamide (PubChem CID 3735207) has the molecular formula C19H19Cl2N3O2 and a molecular weight of 392.29 g/mol. Its IUPAC name is 1-butyl-5-[3-(2,4-dichlorophenyl)-1,2-oxazol-5-yl]-2-methylpyrrole-3-carboxamide.

Molecular Properties

Compound Name1-butyl-5-[3-(2,4-dichlorophenyl)-1,2-oxazol-5-yl]-2-methylpyrrole-3-carboxamide
PubChem CID3735207
Molecular FormulaC19H19Cl2N3O2
Molecular Weight392.29 g/mol
Exact Mass391.09
IUPAC Name1-butyl-5-[3-(2,4-dichlorophenyl)-1,2-oxazol-5-yl]-2-methylpyrrole-3-carboxamide
SMILESCCCCn1c(-c2cc(-c3ccc(Cl)cc3Cl)no2)cc(C(N)=O)c1C
InChIInChI=1S/C19H19Cl2N3O2/c1-3-4-7-24-11(2)14(19(22)25)9-17(24)18-10-16(23-26-18)13-6-5-12(20)8-15(13)21/h5-6,8-10H,3-4,7H2,1-2H3,(H2,22,25)
InChIKeyQSSMGJULESFHSS-UHFFFAOYSA-N
XLogP5.32
TPSA74.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.29
LogP ≤ 55.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-chlorophenyl)-5-(2,4-dichlorophenyl)-2-methylpyrrole-3-carboxamide
CID 69057259
5-(2-chlorophenyl)-2-methyl-1-propylpyrrole-3-carboxamide
CID 3854716
1-butyl-5-(3-ethyl-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-methylpyrrole-3-carboxamide
CID 3814014
1-butyl-5-[2-[(4,5-dichloroimidazol-1-yl)methyl]-1,3-thiazol-4-yl]-2-methylpyrrole-3-carboxamide
CID 3856360
5-(2-chlorophenyl)-2-methyl-1-(3-phenylpropyl)pyrrole-3-carboxamide
CID 3284921
N-butyl-1-(cyclohexylmethyl)-5-[2-(2,4-dichlorophenyl)-1,3-thiazol-4-yl]-2-methylpyrrole-3-carboxamide
CID 10074848
5-(2-chloro-7-methylquinolin-3-yl)-3-(2,4-dichlorophenyl)-1,2-oxazole
CID 11731870
5-(4-chloro-2-methylphenyl)-1-(cyclohexylmethyl)-2-methylpyrrole-3-carboxamide
CID 142919716
5-[2-(3-chlorophenyl)-1,3-thiazol-4-yl]-2-methyl-1-(2-thiophen-2-ylethyl)pyrrole-3-carboxamide
CID 134082061
1-[2-(4-hydroxyphenyl)ethyl]-2-methyl-5-[2-(5-methyl-1,2-oxazol-3-yl)-1,3-thiazol-4-yl]pyrrole-3-carboxamide
CID 3861207
3-(2,4-dichlorophenyl)-1-propylpyrazole-5-carboxylic acid
CID 84761141
1-[2-(4-chlorophenyl)ethyl]-2-methyl-5-phenylpyrrole-3-carboxamide
CID 3351123

Frequently Asked Questions

What is the IUPAC name of 1-butyl-5-[3-(2,4-dichlorophenyl)-1,2-oxazol-5-yl]-2-methylpyrrole-3-carboxamide?
The IUPAC name of 1-butyl-5-[3-(2,4-dichlorophenyl)-1,2-oxazol-5-yl]-2-methylpyrrole-3-carboxamide (CID 3735207) is 1-butyl-5-[3-(2,4-dichlorophenyl)-1,2-oxazol-5-yl]-2-methylpyrrole-3-carboxamide.
What is the SMILES notation for 1-butyl-5-[3-(2,4-dichlorophenyl)-1,2-oxazol-5-yl]-2-methylpyrrole-3-carboxamide?
The canonical SMILES for 1-butyl-5-[3-(2,4-dichlorophenyl)-1,2-oxazol-5-yl]-2-methylpyrrole-3-carboxamide is CCCCn1c(-c2cc(-c3ccc(Cl)cc3Cl)no2)cc(C(N)=O)c1C.
What is the InChIKey of 1-butyl-5-[3-(2,4-dichlorophenyl)-1,2-oxazol-5-yl]-2-methylpyrrole-3-carboxamide?
The InChIKey is QSSMGJULESFHSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19Cl2N3O2/c1-3-4-7-24-11(2)14(19(22)25)9-17(24)18-10-16(23-26-18)13-6-5-12(20)8-15(13)21/h5-6,8-10H,3-4,7H2,1-2H3,(H2,22,25).
What are the key properties of 1-butyl-5-[3-(2,4-dichlorophenyl)-1,2-oxazol-5-yl]-2-methylpyrrole-3-carboxamide?
1-butyl-5-[3-(2,4-dichlorophenyl)-1,2-oxazol-5-yl]-2-methylpyrrole-3-carboxamide has a molecular weight of 392.29 g/mol, XLogP of 5.32, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-5-[3-(2,4-dichlorophenyl)-1,2-oxazol-5-yl]-2-methylpyrrole-3-carboxamide is sourced from PubChem (CID 3735207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).