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

C25H26FN5O2 — CID 71664645

IUPAC5-[4-(3,3-dimethylpiperazin-1-yl)phenyl]-2-(7-fluoro-5-methyl-1H-indol-4-yl)-1,3-oxazole-4-carboxamide
SMILESCc1cc(F)c2[nH]ccc2c1-c1nc(C(N)=O)c(-c2ccc(N3CCNC(C)(C)C3)cc2)o1
InChIInChI=1S/C25H26FN5O2/c1-14-12-18(26)20-17(8-9-28-20)19(14)24-30-21(23(27)32)22(33-24)15-4-6-16(7-5-15)31-11-10-29-25(2,3)13-31/h4-9,12,28-29H,10-11,13H2,1-3H3,(H2,27,32)
InChIKeyOPWLMVVARKPWEA-UHFFFAOYSA-N
MW447.51 g/mol
LogP4.22
Rot. Bonds4

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

5-[4-(3,3-dimethylpiperazin-1-yl)phenyl]-2-(7-fluoro-5-methyl-1H-indol-4-yl)-1,3-oxazole-4-carboxamide (PubChem CID 71664645) has the molecular formula C25H26FN5O2 and a molecular weight of 447.51 g/mol. Its IUPAC name is 5-[4-(3,3-dimethylpiperazin-1-yl)phenyl]-2-(7-fluoro-5-methyl-1H-indol-4-yl)-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name5-[4-(3,3-dimethylpiperazin-1-yl)phenyl]-2-(7-fluoro-5-methyl-1H-indol-4-yl)-1,3-oxazole-4-carboxamide
PubChem CID71664645
Molecular FormulaC25H26FN5O2
Molecular Weight447.51 g/mol
Exact Mass447.21
IUPAC Name5-[4-(3,3-dimethylpiperazin-1-yl)phenyl]-2-(7-fluoro-5-methyl-1H-indol-4-yl)-1,3-oxazole-4-carboxamide
SMILESCc1cc(F)c2[nH]ccc2c1-c1nc(C(N)=O)c(-c2ccc(N3CCNC(C)(C)C3)cc2)o1
InChIInChI=1S/C25H26FN5O2/c1-14-12-18(26)20-17(8-9-28-20)19(14)24-30-21(23(27)32)22(33-24)15-4-6-16(7-5-15)31-11-10-29-25(2,3)13-31/h4-9,12,28-29H,10-11,13H2,1-3H3,(H2,27,32)
InChIKeyOPWLMVVARKPWEA-UHFFFAOYSA-N
XLogP4.22
TPSA100.18 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.51
LogP ≤ 54.22
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-fluoro-5-methyl-1H-indol-4-yl)-1,3-oxazole-4-carboxamide?
The IUPAC name of 5-[4-(3,3-dimethylpiperazin-1-yl)phenyl]-2-(7-fluoro-5-methyl-1H-indol-4-yl)-1,3-oxazole-4-carboxamide (CID 71664645) is 5-[4-(3,3-dimethylpiperazin-1-yl)phenyl]-2-(7-fluoro-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-(7-fluoro-5-methyl-1H-indol-4-yl)-1,3-oxazole-4-carboxamide?
The canonical SMILES for 5-[4-(3,3-dimethylpiperazin-1-yl)phenyl]-2-(7-fluoro-5-methyl-1H-indol-4-yl)-1,3-oxazole-4-carboxamide is Cc1cc(F)c2[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-(7-fluoro-5-methyl-1H-indol-4-yl)-1,3-oxazole-4-carboxamide?
The InChIKey is OPWLMVVARKPWEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26FN5O2/c1-14-12-18(26)20-17(8-9-28-20)19(14)24-30-21(23(27)32)22(33-24)15-4-6-16(7-5-15)31-11-10-29-25(2,3)13-31/h4-9,12,28-29H,10-11,13H2,1-3H3,(H2,27,32).
What are the key properties of 5-[4-(3,3-dimethylpiperazin-1-yl)phenyl]-2-(7-fluoro-5-methyl-1H-indol-4-yl)-1,3-oxazole-4-carboxamide?
5-[4-(3,3-dimethylpiperazin-1-yl)phenyl]-2-(7-fluoro-5-methyl-1H-indol-4-yl)-1,3-oxazole-4-carboxamide has a molecular weight of 447.51 g/mol, XLogP of 4.22, 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-(7-fluoro-5-methyl-1H-indol-4-yl)-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 71664645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).