1-N-(3,4-dichlorophenyl)-4-N-(5-methyl-1,2-oxazol-3-yl)benzene-1,4-dicarboxamide

C18H13Cl2N3O3 — CID 109050241

IUPAC1-N-(3,4-dichlorophenyl)-4-N-(5-methyl-1,2-oxazol-3-yl)benzene-1,4-dicarboxamide
SMILESCc1cc(NC(=O)c2ccc(C(=O)Nc3ccc(Cl)c(Cl)c3)cc2)no1
InChIInChI=1S/C18H13Cl2N3O3/c1-10-8-16(23-26-10)22-18(25)12-4-2-11(3-5-12)17(24)21-13-6-7-14(19)15(20)9-13/h2-9H,1H3,(H,21,24)(H,22,23,25)
InChIKeyRCLNGODAXZEAEF-UHFFFAOYSA-N
MW390.23 g/mol
LogP4.79
Rot. Bonds4

About 1-N-(3,4-dichlorophenyl)-4-N-(5-methyl-1,2-oxazol-3-yl)benzene-1,4-dicarboxamide

1-N-(3,4-dichlorophenyl)-4-N-(5-methyl-1,2-oxazol-3-yl)benzene-1,4-dicarboxamide (PubChem CID 109050241) has the molecular formula C18H13Cl2N3O3 and a molecular weight of 390.23 g/mol. Its IUPAC name is 1-N-(3,4-dichlorophenyl)-4-N-(5-methyl-1,2-oxazol-3-yl)benzene-1,4-dicarboxamide.

Molecular Properties

Compound Name1-N-(3,4-dichlorophenyl)-4-N-(5-methyl-1,2-oxazol-3-yl)benzene-1,4-dicarboxamide
PubChem CID109050241
Molecular FormulaC18H13Cl2N3O3
Molecular Weight390.23 g/mol
Exact Mass389.03
IUPAC Name1-N-(3,4-dichlorophenyl)-4-N-(5-methyl-1,2-oxazol-3-yl)benzene-1,4-dicarboxamide
SMILESCc1cc(NC(=O)c2ccc(C(=O)Nc3ccc(Cl)c(Cl)c3)cc2)no1
InChIInChI=1S/C18H13Cl2N3O3/c1-10-8-16(23-26-10)22-18(25)12-4-2-11(3-5-12)17(24)21-13-6-7-14(19)15(20)9-13/h2-9H,1H3,(H,21,24)(H,22,23,25)
InChIKeyRCLNGODAXZEAEF-UHFFFAOYSA-N
XLogP4.79
TPSA84.23 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.23
LogP ≤ 54.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-N-(3-chloro-4-fluorophenyl)-4-N-(5-methyl-1,2-oxazol-3-yl)benzene-1,4-dicarboxamide
CID 109050037
4-N-(3,4-dichlorophenyl)-2-N-(5-methyl-1,2-oxazol-3-yl)pyridine-2,4-dicarboxamide
CID 109093352
N-(3,4-dichlorophenyl)-6-[(5-methyl-1,2-oxazol-3-yl)amino]pyridine-3-carboxamide
CID 109164919
4-(methylamino)-N-(5-methyl-1,2-oxazol-3-yl)benzamide
CID 62165645
1-N-(1,3-benzodioxol-5-yl)-4-N-(5-methyl-1,2-oxazol-3-yl)benzene-1,4-dicarboxamide
CID 109050216
4-chloro-N-[4-[[1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl]amino]phenyl]benzamide
CID 47485721
3-chloro-4-fluoro-N-(5-methyl-1,2-oxazol-3-yl)benzamide
CID 110764772
N-(5-methyl-1,2-oxazol-3-yl)benzamide
CID 569560
3,4-dichloro-N-[6-[(5-methyl-1,2-oxazol-3-yl)amino]pyridazin-3-yl]benzamide
CID 113051727
N-[4-[(5-methyl-1,2-oxazol-3-yl)carbamoyl]phenyl]furan-2-carboxamide
CID 2300970
2-(3,4-dichloroanilino)-6-methyl-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-4-carboxamide
CID 109338127
N-(3,4-dichlorophenyl)-3-[(5-methyl-1,2-oxazol-3-yl)amino]propanamide
CID 109042633

Frequently Asked Questions

What is the IUPAC name of 1-N-(3,4-dichlorophenyl)-4-N-(5-methyl-1,2-oxazol-3-yl)benzene-1,4-dicarboxamide?
The IUPAC name of 1-N-(3,4-dichlorophenyl)-4-N-(5-methyl-1,2-oxazol-3-yl)benzene-1,4-dicarboxamide (CID 109050241) is 1-N-(3,4-dichlorophenyl)-4-N-(5-methyl-1,2-oxazol-3-yl)benzene-1,4-dicarboxamide.
What is the SMILES notation for 1-N-(3,4-dichlorophenyl)-4-N-(5-methyl-1,2-oxazol-3-yl)benzene-1,4-dicarboxamide?
The canonical SMILES for 1-N-(3,4-dichlorophenyl)-4-N-(5-methyl-1,2-oxazol-3-yl)benzene-1,4-dicarboxamide is Cc1cc(NC(=O)c2ccc(C(=O)Nc3ccc(Cl)c(Cl)c3)cc2)no1.
What is the InChIKey of 1-N-(3,4-dichlorophenyl)-4-N-(5-methyl-1,2-oxazol-3-yl)benzene-1,4-dicarboxamide?
The InChIKey is RCLNGODAXZEAEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13Cl2N3O3/c1-10-8-16(23-26-10)22-18(25)12-4-2-11(3-5-12)17(24)21-13-6-7-14(19)15(20)9-13/h2-9H,1H3,(H,21,24)(H,22,23,25).
What are the key properties of 1-N-(3,4-dichlorophenyl)-4-N-(5-methyl-1,2-oxazol-3-yl)benzene-1,4-dicarboxamide?
1-N-(3,4-dichlorophenyl)-4-N-(5-methyl-1,2-oxazol-3-yl)benzene-1,4-dicarboxamide has a molecular weight of 390.23 g/mol, XLogP of 4.79, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(3,4-dichlorophenyl)-4-N-(5-methyl-1,2-oxazol-3-yl)benzene-1,4-dicarboxamide is sourced from PubChem (CID 109050241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).