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

C25H26N4O3 — CID 118728955

IUPAC2-indol-1-yl-1-[4-[3-methoxy-4-(2-methyl-1,3-oxazol-5-yl)phenyl]piperazin-1-yl]ethanone
SMILESCOc1cc(N2CCN(C(=O)Cn3ccc4ccccc43)CC2)ccc1-c1cnc(C)o1
InChIInChI=1S/C25H26N4O3/c1-18-26-16-24(32-18)21-8-7-20(15-23(21)31-2)27-11-13-28(14-12-27)25(30)17-29-10-9-19-5-3-4-6-22(19)29/h3-10,15-16H,11-14,17H2,1-2H3
InChIKeyMQPRHRQMCUMJKJ-UHFFFAOYSA-N
MW430.51 g/mol
LogP3.96
Rot. Bonds5

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

2-indol-1-yl-1-[4-[3-methoxy-4-(2-methyl-1,3-oxazol-5-yl)phenyl]piperazin-1-yl]ethanone (PubChem CID 118728955) has the molecular formula C25H26N4O3 and a molecular weight of 430.51 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]ethanone.

Molecular Properties

Compound Name2-indol-1-yl-1-[4-[3-methoxy-4-(2-methyl-1,3-oxazol-5-yl)phenyl]piperazin-1-yl]ethanone
PubChem CID118728955
Molecular FormulaC25H26N4O3
Molecular Weight430.51 g/mol
Exact Mass430.20
IUPAC Name2-indol-1-yl-1-[4-[3-methoxy-4-(2-methyl-1,3-oxazol-5-yl)phenyl]piperazin-1-yl]ethanone
SMILESCOc1cc(N2CCN(C(=O)Cn3ccc4ccccc43)CC2)ccc1-c1cnc(C)o1
InChIInChI=1S/C25H26N4O3/c1-18-26-16-24(32-18)21-8-7-20(15-23(21)31-2)27-11-13-28(14-12-27)25(30)17-29-10-9-19-5-3-4-6-22(19)29/h3-10,15-16H,11-14,17H2,1-2H3
InChIKeyMQPRHRQMCUMJKJ-UHFFFAOYSA-N
XLogP3.96
TPSA63.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.51
LogP ≤ 53.96
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]ethanone?
The IUPAC name of 2-indol-1-yl-1-[4-[3-methoxy-4-(2-methyl-1,3-oxazol-5-yl)phenyl]piperazin-1-yl]ethanone (CID 118728955) is 2-indol-1-yl-1-[4-[3-methoxy-4-(2-methyl-1,3-oxazol-5-yl)phenyl]piperazin-1-yl]ethanone.
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]ethanone?
The canonical SMILES for 2-indol-1-yl-1-[4-[3-methoxy-4-(2-methyl-1,3-oxazol-5-yl)phenyl]piperazin-1-yl]ethanone is COc1cc(N2CCN(C(=O)Cn3ccc4ccccc43)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]ethanone?
The InChIKey is MQPRHRQMCUMJKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N4O3/c1-18-26-16-24(32-18)21-8-7-20(15-23(21)31-2)27-11-13-28(14-12-27)25(30)17-29-10-9-19-5-3-4-6-22(19)29/h3-10,15-16H,11-14,17H2,1-2H3.
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]ethanone?
2-indol-1-yl-1-[4-[3-methoxy-4-(2-methyl-1,3-oxazol-5-yl)phenyl]piperazin-1-yl]ethanone has a molecular weight of 430.51 g/mol, XLogP of 3.96, 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]ethanone is sourced from PubChem (CID 118728955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).