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

C25H27N5O2 — CID 71678210

IUPAC5-[4-(3,3-dimethylpiperazin-1-yl)phenyl]-2-(3-methyl-1H-indol-4-yl)-1,3-oxazole-4-carboxamide
SMILESCc1c[nH]c2cccc(-c3nc(C(N)=O)c(-c4ccc(N5CCNC(C)(C)C5)cc4)o3)c12
InChIInChI=1S/C25H27N5O2/c1-15-13-27-19-6-4-5-18(20(15)19)24-29-21(23(26)31)22(32-24)16-7-9-17(10-8-16)30-12-11-28-25(2,3)14-30/h4-10,13,27-28H,11-12,14H2,1-3H3,(H2,26,31)
InChIKeyAYVATFZLZLWIPA-UHFFFAOYSA-N
MW429.52 g/mol
LogP4.09
Rot. Bonds4

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

5-[4-(3,3-dimethylpiperazin-1-yl)phenyl]-2-(3-methyl-1H-indol-4-yl)-1,3-oxazole-4-carboxamide (PubChem CID 71678210) 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-(3-methyl-1H-indol-4-yl)-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name5-[4-(3,3-dimethylpiperazin-1-yl)phenyl]-2-(3-methyl-1H-indol-4-yl)-1,3-oxazole-4-carboxamide
PubChem CID71678210
Molecular FormulaC25H27N5O2
Molecular Weight429.52 g/mol
Exact Mass429.22
IUPAC Name5-[4-(3,3-dimethylpiperazin-1-yl)phenyl]-2-(3-methyl-1H-indol-4-yl)-1,3-oxazole-4-carboxamide
SMILESCc1c[nH]c2cccc(-c3nc(C(N)=O)c(-c4ccc(N5CCNC(C)(C)C5)cc4)o3)c12
InChIInChI=1S/C25H27N5O2/c1-15-13-27-19-6-4-5-18(20(15)19)24-29-21(23(26)31)22(32-24)16-7-9-17(10-8-16)30-12-11-28-25(2,3)14-30/h4-10,13,27-28H,11-12,14H2,1-3H3,(H2,26,31)
InChIKeyAYVATFZLZLWIPA-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-(3-methyl-1H-indol-4-yl)-1,3-oxazole-4-carboxamide?
The IUPAC name of 5-[4-(3,3-dimethylpiperazin-1-yl)phenyl]-2-(3-methyl-1H-indol-4-yl)-1,3-oxazole-4-carboxamide (CID 71678210) is 5-[4-(3,3-dimethylpiperazin-1-yl)phenyl]-2-(3-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-(3-methyl-1H-indol-4-yl)-1,3-oxazole-4-carboxamide?
The canonical SMILES for 5-[4-(3,3-dimethylpiperazin-1-yl)phenyl]-2-(3-methyl-1H-indol-4-yl)-1,3-oxazole-4-carboxamide is Cc1c[nH]c2cccc(-c3nc(C(N)=O)c(-c4ccc(N5CCNC(C)(C)C5)cc4)o3)c12.
What is the InChIKey of 5-[4-(3,3-dimethylpiperazin-1-yl)phenyl]-2-(3-methyl-1H-indol-4-yl)-1,3-oxazole-4-carboxamide?
The InChIKey is AYVATFZLZLWIPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N5O2/c1-15-13-27-19-6-4-5-18(20(15)19)24-29-21(23(26)31)22(32-24)16-7-9-17(10-8-16)30-12-11-28-25(2,3)14-30/h4-10,13,27-28H,11-12,14H2,1-3H3,(H2,26,31).
What are the key properties of 5-[4-(3,3-dimethylpiperazin-1-yl)phenyl]-2-(3-methyl-1H-indol-4-yl)-1,3-oxazole-4-carboxamide?
5-[4-(3,3-dimethylpiperazin-1-yl)phenyl]-2-(3-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-(3-methyl-1H-indol-4-yl)-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 71678210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).