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

C24H24FN5O2 — CID 71678206

IUPAC5-[4-(3,3-dimethylpiperazin-1-yl)phenyl]-2-(7-fluoro-1H-indol-4-yl)-1,3-oxazole-4-carboxamide
SMILESCC1(C)CN(c2ccc(-c3oc(-c4ccc(F)c5[nH]ccc45)nc3C(N)=O)cc2)CCN1
InChIInChI=1S/C24H24FN5O2/c1-24(2)13-30(12-11-28-24)15-5-3-14(4-6-15)21-20(22(26)31)29-23(32-21)17-7-8-18(25)19-16(17)9-10-27-19/h3-10,27-28H,11-13H2,1-2H3,(H2,26,31)
InChIKeyBLEFJHDCLNVQNS-UHFFFAOYSA-N
MW433.49 g/mol
LogP3.92
Rot. Bonds4

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

5-[4-(3,3-dimethylpiperazin-1-yl)phenyl]-2-(7-fluoro-1H-indol-4-yl)-1,3-oxazole-4-carboxamide (PubChem CID 71678206) has the molecular formula C24H24FN5O2 and a molecular weight of 433.49 g/mol. Its IUPAC name is 5-[4-(3,3-dimethylpiperazin-1-yl)phenyl]-2-(7-fluoro-1H-indol-4-yl)-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name5-[4-(3,3-dimethylpiperazin-1-yl)phenyl]-2-(7-fluoro-1H-indol-4-yl)-1,3-oxazole-4-carboxamide
PubChem CID71678206
Molecular FormulaC24H24FN5O2
Molecular Weight433.49 g/mol
Exact Mass433.19
IUPAC Name5-[4-(3,3-dimethylpiperazin-1-yl)phenyl]-2-(7-fluoro-1H-indol-4-yl)-1,3-oxazole-4-carboxamide
SMILESCC1(C)CN(c2ccc(-c3oc(-c4ccc(F)c5[nH]ccc45)nc3C(N)=O)cc2)CCN1
InChIInChI=1S/C24H24FN5O2/c1-24(2)13-30(12-11-28-24)15-5-3-14(4-6-15)21-20(22(26)31)29-23(32-21)17-7-8-18(25)19-16(17)9-10-27-19/h3-10,27-28H,11-13H2,1-2H3,(H2,26,31)
InChIKeyBLEFJHDCLNVQNS-UHFFFAOYSA-N
XLogP3.92
TPSA100.18 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.49
LogP ≤ 53.92
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-1H-indol-4-yl)-1,3-oxazole-4-carboxamide?
The IUPAC name of 5-[4-(3,3-dimethylpiperazin-1-yl)phenyl]-2-(7-fluoro-1H-indol-4-yl)-1,3-oxazole-4-carboxamide (CID 71678206) is 5-[4-(3,3-dimethylpiperazin-1-yl)phenyl]-2-(7-fluoro-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-1H-indol-4-yl)-1,3-oxazole-4-carboxamide?
The canonical SMILES for 5-[4-(3,3-dimethylpiperazin-1-yl)phenyl]-2-(7-fluoro-1H-indol-4-yl)-1,3-oxazole-4-carboxamide is CC1(C)CN(c2ccc(-c3oc(-c4ccc(F)c5[nH]ccc45)nc3C(N)=O)cc2)CCN1.
What is the InChIKey of 5-[4-(3,3-dimethylpiperazin-1-yl)phenyl]-2-(7-fluoro-1H-indol-4-yl)-1,3-oxazole-4-carboxamide?
The InChIKey is BLEFJHDCLNVQNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24FN5O2/c1-24(2)13-30(12-11-28-24)15-5-3-14(4-6-15)21-20(22(26)31)29-23(32-21)17-7-8-18(25)19-16(17)9-10-27-19/h3-10,27-28H,11-13H2,1-2H3,(H2,26,31).
What are the key properties of 5-[4-(3,3-dimethylpiperazin-1-yl)phenyl]-2-(7-fluoro-1H-indol-4-yl)-1,3-oxazole-4-carboxamide?
5-[4-(3,3-dimethylpiperazin-1-yl)phenyl]-2-(7-fluoro-1H-indol-4-yl)-1,3-oxazole-4-carboxamide has a molecular weight of 433.49 g/mol, XLogP of 3.92, 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-1H-indol-4-yl)-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 71678206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).