2-indol-1-yl-1-[4-[3-methoxy-4-(2-methyl-1,3-oxazol-5-yl)phenyl]piperazin-1-yl]propan-1-one

C26H28N4O3 — CID 70802953

IUPAC2-indol-1-yl-1-[4-[3-methoxy-4-(2-methyl-1,3-oxazol-5-yl)phenyl]piperazin-1-yl]propan-1-one
SMILESCOc1cc(N2CCN(C(=O)C(C)n3ccc4ccccc43)CC2)ccc1-c1cnc(C)o1
InChIInChI=1S/C26H28N4O3/c1-18(30-11-10-20-6-4-5-7-23(20)30)26(31)29-14-12-28(13-15-29)21-8-9-22(24(16-21)32-3)25-17-27-19(2)33-25/h4-11,16-18H,12-15H2,1-3H3
InChIKeySYFGUUJTCLWMFA-UHFFFAOYSA-N
MW444.54 g/mol
LogP4.52
Rot. Bonds5

About 2-indol-1-yl-1-[4-[3-methoxy-4-(2-methyl-1,3-oxazol-5-yl)phenyl]piperazin-1-yl]propan-1-one

2-indol-1-yl-1-[4-[3-methoxy-4-(2-methyl-1,3-oxazol-5-yl)phenyl]piperazin-1-yl]propan-1-one (PubChem CID 70802953) has the molecular formula C26H28N4O3 and a molecular weight of 444.54 g/mol. Its IUPAC name is 2-indol-1-yl-1-[4-[3-methoxy-4-(2-methyl-1,3-oxazol-5-yl)phenyl]piperazin-1-yl]propan-1-one.

Molecular Properties

Compound Name2-indol-1-yl-1-[4-[3-methoxy-4-(2-methyl-1,3-oxazol-5-yl)phenyl]piperazin-1-yl]propan-1-one
PubChem CID70802953
Molecular FormulaC26H28N4O3
Molecular Weight444.54 g/mol
Exact Mass444.22
IUPAC Name2-indol-1-yl-1-[4-[3-methoxy-4-(2-methyl-1,3-oxazol-5-yl)phenyl]piperazin-1-yl]propan-1-one
SMILESCOc1cc(N2CCN(C(=O)C(C)n3ccc4ccccc43)CC2)ccc1-c1cnc(C)o1
InChIInChI=1S/C26H28N4O3/c1-18(30-11-10-20-6-4-5-7-23(20)30)26(31)29-14-12-28(13-15-29)21-8-9-22(24(16-21)32-3)25-17-27-19(2)33-25/h4-11,16-18H,12-15H2,1-3H3
InChIKeySYFGUUJTCLWMFA-UHFFFAOYSA-N
XLogP4.52
TPSA63.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.54
LogP ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-indol-1-yl-1-[4-[3-methoxy-4-(2-methyl-1,3-oxazol-5-yl)phenyl]piperazin-1-yl]propan-1-one?
The IUPAC name of 2-indol-1-yl-1-[4-[3-methoxy-4-(2-methyl-1,3-oxazol-5-yl)phenyl]piperazin-1-yl]propan-1-one (CID 70802953) is 2-indol-1-yl-1-[4-[3-methoxy-4-(2-methyl-1,3-oxazol-5-yl)phenyl]piperazin-1-yl]propan-1-one.
What is the SMILES notation for 2-indol-1-yl-1-[4-[3-methoxy-4-(2-methyl-1,3-oxazol-5-yl)phenyl]piperazin-1-yl]propan-1-one?
The canonical SMILES for 2-indol-1-yl-1-[4-[3-methoxy-4-(2-methyl-1,3-oxazol-5-yl)phenyl]piperazin-1-yl]propan-1-one is COc1cc(N2CCN(C(=O)C(C)n3ccc4ccccc43)CC2)ccc1-c1cnc(C)o1.
What is the InChIKey of 2-indol-1-yl-1-[4-[3-methoxy-4-(2-methyl-1,3-oxazol-5-yl)phenyl]piperazin-1-yl]propan-1-one?
The InChIKey is SYFGUUJTCLWMFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N4O3/c1-18(30-11-10-20-6-4-5-7-23(20)30)26(31)29-14-12-28(13-15-29)21-8-9-22(24(16-21)32-3)25-17-27-19(2)33-25/h4-11,16-18H,12-15H2,1-3H3.
What are the key properties of 2-indol-1-yl-1-[4-[3-methoxy-4-(2-methyl-1,3-oxazol-5-yl)phenyl]piperazin-1-yl]propan-1-one?
2-indol-1-yl-1-[4-[3-methoxy-4-(2-methyl-1,3-oxazol-5-yl)phenyl]piperazin-1-yl]propan-1-one has a molecular weight of 444.54 g/mol, XLogP of 4.52, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-indol-1-yl-1-[4-[3-methoxy-4-(2-methyl-1,3-oxazol-5-yl)phenyl]piperazin-1-yl]propan-1-one is sourced from PubChem (CID 70802953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).