5-[4-(3,3-dimethylpiperazin-1-yl)phenyl]-2-(5-methyl-1H-indol-4-yl)-1,3-oxazole-4-carboxamide

C25H27N5O2 — CID 71678205

IUPAC5-[4-(3,3-dimethylpiperazin-1-yl)phenyl]-2-(5-methyl-1H-indol-4-yl)-1,3-oxazole-4-carboxamide
SMILESCc1ccc2[nH]ccc2c1-c1nc(C(N)=O)c(-c2ccc(N3CCNC(C)(C)C3)cc2)o1
InChIInChI=1S/C25H27N5O2/c1-15-4-9-19-18(10-11-27-19)20(15)24-29-21(23(26)31)22(32-24)16-5-7-17(8-6-16)30-13-12-28-25(2,3)14-30/h4-11,27-28H,12-14H2,1-3H3,(H2,26,31)
InChIKeyXSLUZOLUJPDNGT-UHFFFAOYSA-N
MW429.52 g/mol
LogP4.09
Rot. Bonds4

About 5-[4-(3,3-dimethylpiperazin-1-yl)phenyl]-2-(5-methyl-1H-indol-4-yl)-1,3-oxazole-4-carboxamide

5-[4-(3,3-dimethylpiperazin-1-yl)phenyl]-2-(5-methyl-1H-indol-4-yl)-1,3-oxazole-4-carboxamide (PubChem CID 71678205) has the molecular formula C25H27N5O2 and a molecular weight of 429.52 g/mol. Its IUPAC name is 5-[4-(3,3-dimethylpiperazin-1-yl)phenyl]-2-(5-methyl-1H-indol-4-yl)-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name5-[4-(3,3-dimethylpiperazin-1-yl)phenyl]-2-(5-methyl-1H-indol-4-yl)-1,3-oxazole-4-carboxamide
PubChem CID71678205
Molecular FormulaC25H27N5O2
Molecular Weight429.52 g/mol
Exact Mass429.22
IUPAC Name5-[4-(3,3-dimethylpiperazin-1-yl)phenyl]-2-(5-methyl-1H-indol-4-yl)-1,3-oxazole-4-carboxamide
SMILESCc1ccc2[nH]ccc2c1-c1nc(C(N)=O)c(-c2ccc(N3CCNC(C)(C)C3)cc2)o1
InChIInChI=1S/C25H27N5O2/c1-15-4-9-19-18(10-11-27-19)20(15)24-29-21(23(26)31)22(32-24)16-5-7-17(8-6-16)30-13-12-28-25(2,3)14-30/h4-11,27-28H,12-14H2,1-3H3,(H2,26,31)
InChIKeyXSLUZOLUJPDNGT-UHFFFAOYSA-N
XLogP4.09
TPSA100.18 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.52
LogP ≤ 54.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[4-(3,3-dimethylpiperazin-1-yl)phenyl]-2-(5-methyl-1H-indol-4-yl)-1,3-oxazole-4-carboxamide?
The IUPAC name of 5-[4-(3,3-dimethylpiperazin-1-yl)phenyl]-2-(5-methyl-1H-indol-4-yl)-1,3-oxazole-4-carboxamide (CID 71678205) is 5-[4-(3,3-dimethylpiperazin-1-yl)phenyl]-2-(5-methyl-1H-indol-4-yl)-1,3-oxazole-4-carboxamide.
What is the SMILES notation for 5-[4-(3,3-dimethylpiperazin-1-yl)phenyl]-2-(5-methyl-1H-indol-4-yl)-1,3-oxazole-4-carboxamide?
The canonical SMILES for 5-[4-(3,3-dimethylpiperazin-1-yl)phenyl]-2-(5-methyl-1H-indol-4-yl)-1,3-oxazole-4-carboxamide is Cc1ccc2[nH]ccc2c1-c1nc(C(N)=O)c(-c2ccc(N3CCNC(C)(C)C3)cc2)o1.
What is the InChIKey of 5-[4-(3,3-dimethylpiperazin-1-yl)phenyl]-2-(5-methyl-1H-indol-4-yl)-1,3-oxazole-4-carboxamide?
The InChIKey is XSLUZOLUJPDNGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N5O2/c1-15-4-9-19-18(10-11-27-19)20(15)24-29-21(23(26)31)22(32-24)16-5-7-17(8-6-16)30-13-12-28-25(2,3)14-30/h4-11,27-28H,12-14H2,1-3H3,(H2,26,31).
What are the key properties of 5-[4-(3,3-dimethylpiperazin-1-yl)phenyl]-2-(5-methyl-1H-indol-4-yl)-1,3-oxazole-4-carboxamide?
5-[4-(3,3-dimethylpiperazin-1-yl)phenyl]-2-(5-methyl-1H-indol-4-yl)-1,3-oxazole-4-carboxamide has a molecular weight of 429.52 g/mol, XLogP of 4.09, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(3,3-dimethylpiperazin-1-yl)phenyl]-2-(5-methyl-1H-indol-4-yl)-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 71678205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).