5-(3-chlorophenyl)-N,N-bis[(3-chlorophenyl)methyl]-1,3-oxazole-4-carboxamide

C24H17Cl3N2O2 — CID 71596650

IUPAC5-(3-chlorophenyl)-N,N-bis[(3-chlorophenyl)methyl]-1,3-oxazole-4-carboxamide
SMILESO=C(c1ncoc1-c1cccc(Cl)c1)N(Cc1cccc(Cl)c1)Cc1cccc(Cl)c1
InChIInChI=1S/C24H17Cl3N2O2/c25-19-7-1-4-16(10-19)13-29(14-17-5-2-8-20(26)11-17)24(30)22-23(31-15-28-22)18-6-3-9-21(27)12-18/h1-12,15H,13-14H2
InChIKeyYPMVWTDQSMWSJC-UHFFFAOYSA-N
MW471.77 g/mol
LogP7.14
Rot. Bonds6

About 5-(3-chlorophenyl)-N,N-bis[(3-chlorophenyl)methyl]-1,3-oxazole-4-carboxamide

5-(3-chlorophenyl)-N,N-bis[(3-chlorophenyl)methyl]-1,3-oxazole-4-carboxamide (PubChem CID 71596650) has the molecular formula C24H17Cl3N2O2 and a molecular weight of 471.77 g/mol. Its IUPAC name is 5-(3-chlorophenyl)-N,N-bis[(3-chlorophenyl)methyl]-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name5-(3-chlorophenyl)-N,N-bis[(3-chlorophenyl)methyl]-1,3-oxazole-4-carboxamide
PubChem CID71596650
Molecular FormulaC24H17Cl3N2O2
Molecular Weight471.77 g/mol
Exact Mass470.04
IUPAC Name5-(3-chlorophenyl)-N,N-bis[(3-chlorophenyl)methyl]-1,3-oxazole-4-carboxamide
SMILESO=C(c1ncoc1-c1cccc(Cl)c1)N(Cc1cccc(Cl)c1)Cc1cccc(Cl)c1
InChIInChI=1S/C24H17Cl3N2O2/c25-19-7-1-4-16(10-19)13-29(14-17-5-2-8-20(26)11-17)24(30)22-23(31-15-28-22)18-6-3-9-21(27)12-18/h1-12,15H,13-14H2
InChIKeyYPMVWTDQSMWSJC-UHFFFAOYSA-N
XLogP7.14
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500471.77
LogP ≤ 57.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(3-chlorophenyl)-N,N-bis[(3-chlorophenyl)methyl]-1,3-oxazole-4-carboxamide?
The IUPAC name of 5-(3-chlorophenyl)-N,N-bis[(3-chlorophenyl)methyl]-1,3-oxazole-4-carboxamide (CID 71596650) is 5-(3-chlorophenyl)-N,N-bis[(3-chlorophenyl)methyl]-1,3-oxazole-4-carboxamide.
What is the SMILES notation for 5-(3-chlorophenyl)-N,N-bis[(3-chlorophenyl)methyl]-1,3-oxazole-4-carboxamide?
The canonical SMILES for 5-(3-chlorophenyl)-N,N-bis[(3-chlorophenyl)methyl]-1,3-oxazole-4-carboxamide is O=C(c1ncoc1-c1cccc(Cl)c1)N(Cc1cccc(Cl)c1)Cc1cccc(Cl)c1.
What is the InChIKey of 5-(3-chlorophenyl)-N,N-bis[(3-chlorophenyl)methyl]-1,3-oxazole-4-carboxamide?
The InChIKey is YPMVWTDQSMWSJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17Cl3N2O2/c25-19-7-1-4-16(10-19)13-29(14-17-5-2-8-20(26)11-17)24(30)22-23(31-15-28-22)18-6-3-9-21(27)12-18/h1-12,15H,13-14H2.
What are the key properties of 5-(3-chlorophenyl)-N,N-bis[(3-chlorophenyl)methyl]-1,3-oxazole-4-carboxamide?
5-(3-chlorophenyl)-N,N-bis[(3-chlorophenyl)methyl]-1,3-oxazole-4-carboxamide has a molecular weight of 471.77 g/mol, XLogP of 7.14, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-chlorophenyl)-N,N-bis[(3-chlorophenyl)methyl]-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 71596650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).