5-[4-(3,3-dimethylpiperazin-1-yl)phenyl]-2-(7-ethyl-1H-indol-4-yl)-1,3-oxazole-4-carboxamide

C26H29N5O2 — CID 71678376

IUPAC5-[4-(3,3-dimethylpiperazin-1-yl)phenyl]-2-(7-ethyl-1H-indol-4-yl)-1,3-oxazole-4-carboxamide
SMILESCCc1ccc(-c2nc(C(N)=O)c(-c3ccc(N4CCNC(C)(C)C4)cc3)o2)c2cc[nH]c12
InChIInChI=1S/C26H29N5O2/c1-4-16-7-10-20(19-11-12-28-21(16)19)25-30-22(24(27)32)23(33-25)17-5-8-18(9-6-17)31-14-13-29-26(2,3)15-31/h5-12,28-29H,4,13-15H2,1-3H3,(H2,27,32)
InChIKeyDUKZDMUZDDNVFF-UHFFFAOYSA-N
MW443.55 g/mol
LogP4.34
Rot. Bonds5

About 5-[4-(3,3-dimethylpiperazin-1-yl)phenyl]-2-(7-ethyl-1H-indol-4-yl)-1,3-oxazole-4-carboxamide

5-[4-(3,3-dimethylpiperazin-1-yl)phenyl]-2-(7-ethyl-1H-indol-4-yl)-1,3-oxazole-4-carboxamide (PubChem CID 71678376) has the molecular formula C26H29N5O2 and a molecular weight of 443.55 g/mol. Its IUPAC name is 5-[4-(3,3-dimethylpiperazin-1-yl)phenyl]-2-(7-ethyl-1H-indol-4-yl)-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name5-[4-(3,3-dimethylpiperazin-1-yl)phenyl]-2-(7-ethyl-1H-indol-4-yl)-1,3-oxazole-4-carboxamide
PubChem CID71678376
Molecular FormulaC26H29N5O2
Molecular Weight443.55 g/mol
Exact Mass443.23
IUPAC Name5-[4-(3,3-dimethylpiperazin-1-yl)phenyl]-2-(7-ethyl-1H-indol-4-yl)-1,3-oxazole-4-carboxamide
SMILESCCc1ccc(-c2nc(C(N)=O)c(-c3ccc(N4CCNC(C)(C)C4)cc3)o2)c2cc[nH]c12
InChIInChI=1S/C26H29N5O2/c1-4-16-7-10-20(19-11-12-28-21(16)19)25-30-22(24(27)32)23(33-25)17-5-8-18(9-6-17)31-14-13-29-26(2,3)15-31/h5-12,28-29H,4,13-15H2,1-3H3,(H2,27,32)
InChIKeyDUKZDMUZDDNVFF-UHFFFAOYSA-N
XLogP4.34
TPSA100.18 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.55
LogP ≤ 54.34
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-(7-ethyl-1H-indol-4-yl)-1,3-oxazole-4-carboxamide?
The IUPAC name of 5-[4-(3,3-dimethylpiperazin-1-yl)phenyl]-2-(7-ethyl-1H-indol-4-yl)-1,3-oxazole-4-carboxamide (CID 71678376) is 5-[4-(3,3-dimethylpiperazin-1-yl)phenyl]-2-(7-ethyl-1H-indol-4-yl)-1,3-oxazole-4-carboxamide.
What is the SMILES notation for 5-[4-(3,3-dimethylpiperazin-1-yl)phenyl]-2-(7-ethyl-1H-indol-4-yl)-1,3-oxazole-4-carboxamide?
The canonical SMILES for 5-[4-(3,3-dimethylpiperazin-1-yl)phenyl]-2-(7-ethyl-1H-indol-4-yl)-1,3-oxazole-4-carboxamide is CCc1ccc(-c2nc(C(N)=O)c(-c3ccc(N4CCNC(C)(C)C4)cc3)o2)c2cc[nH]c12.
What is the InChIKey of 5-[4-(3,3-dimethylpiperazin-1-yl)phenyl]-2-(7-ethyl-1H-indol-4-yl)-1,3-oxazole-4-carboxamide?
The InChIKey is DUKZDMUZDDNVFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N5O2/c1-4-16-7-10-20(19-11-12-28-21(16)19)25-30-22(24(27)32)23(33-25)17-5-8-18(9-6-17)31-14-13-29-26(2,3)15-31/h5-12,28-29H,4,13-15H2,1-3H3,(H2,27,32).
What are the key properties of 5-[4-(3,3-dimethylpiperazin-1-yl)phenyl]-2-(7-ethyl-1H-indol-4-yl)-1,3-oxazole-4-carboxamide?
5-[4-(3,3-dimethylpiperazin-1-yl)phenyl]-2-(7-ethyl-1H-indol-4-yl)-1,3-oxazole-4-carboxamide has a molecular weight of 443.55 g/mol, XLogP of 4.34, 5 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-(7-ethyl-1H-indol-4-yl)-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 71678376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).