1-[4-[(2S)-1-acetyl-2,3-dihydroindole-2-carbonyl]piperazin-1-yl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)ethanone

C22H26N4O4 — CID 86881473

IUPAC1-[4-[(2S)-1-acetyl-2,3-dihydroindole-2-carbonyl]piperazin-1-yl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)ethanone
SMILESCC(=O)N1c2ccccc2C[C@H]1C(=O)N1CCN(C(=O)Cc2c(C)noc2C)CC1
InChIInChI=1S/C22H26N4O4/c1-14-18(15(2)30-23-14)13-21(28)24-8-10-25(11-9-24)22(29)20-12-17-6-4-5-7-19(17)26(20)16(3)27/h4-7,20H,8-13H2,1-3H3/t20-/m0/s1
InChIKeyOQXHNDQOMKTYFX-FQEVSTJZSA-N
MW410.47 g/mol
LogP1.48
Rot. Bonds3

About 1-[4-[(2S)-1-acetyl-2,3-dihydroindole-2-carbonyl]piperazin-1-yl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)ethanone

1-[4-[(2S)-1-acetyl-2,3-dihydroindole-2-carbonyl]piperazin-1-yl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)ethanone (PubChem CID 86881473) has the molecular formula C22H26N4O4 and a molecular weight of 410.47 g/mol. Its IUPAC name is 1-[4-[(2S)-1-acetyl-2,3-dihydroindole-2-carbonyl]piperazin-1-yl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)ethanone.

Molecular Properties

Compound Name1-[4-[(2S)-1-acetyl-2,3-dihydroindole-2-carbonyl]piperazin-1-yl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)ethanone
PubChem CID86881473
Molecular FormulaC22H26N4O4
Molecular Weight410.47 g/mol
Exact Mass410.20
IUPAC Name1-[4-[(2S)-1-acetyl-2,3-dihydroindole-2-carbonyl]piperazin-1-yl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)ethanone
SMILESCC(=O)N1c2ccccc2C[C@H]1C(=O)N1CCN(C(=O)Cc2c(C)noc2C)CC1
InChIInChI=1S/C22H26N4O4/c1-14-18(15(2)30-23-14)13-21(28)24-8-10-25(11-9-24)22(29)20-12-17-6-4-5-7-19(17)26(20)16(3)27/h4-7,20H,8-13H2,1-3H3/t20-/m0/s1
InChIKeyOQXHNDQOMKTYFX-FQEVSTJZSA-N
XLogP1.48
TPSA86.96 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.47
LogP ≤ 51.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[(2S)-1-acetyl-2,3-dihydroindole-2-carbonyl]piperazin-1-yl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)ethanone?
The IUPAC name of 1-[4-[(2S)-1-acetyl-2,3-dihydroindole-2-carbonyl]piperazin-1-yl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)ethanone (CID 86881473) is 1-[4-[(2S)-1-acetyl-2,3-dihydroindole-2-carbonyl]piperazin-1-yl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)ethanone.
What is the SMILES notation for 1-[4-[(2S)-1-acetyl-2,3-dihydroindole-2-carbonyl]piperazin-1-yl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)ethanone?
The canonical SMILES for 1-[4-[(2S)-1-acetyl-2,3-dihydroindole-2-carbonyl]piperazin-1-yl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)ethanone is CC(=O)N1c2ccccc2C[C@H]1C(=O)N1CCN(C(=O)Cc2c(C)noc2C)CC1.
What is the InChIKey of 1-[4-[(2S)-1-acetyl-2,3-dihydroindole-2-carbonyl]piperazin-1-yl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)ethanone?
The InChIKey is OQXHNDQOMKTYFX-FQEVSTJZSA-N. The full InChI is InChI=1S/C22H26N4O4/c1-14-18(15(2)30-23-14)13-21(28)24-8-10-25(11-9-24)22(29)20-12-17-6-4-5-7-19(17)26(20)16(3)27/h4-7,20H,8-13H2,1-3H3/t20-/m0/s1.
What are the key properties of 1-[4-[(2S)-1-acetyl-2,3-dihydroindole-2-carbonyl]piperazin-1-yl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)ethanone?
1-[4-[(2S)-1-acetyl-2,3-dihydroindole-2-carbonyl]piperazin-1-yl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)ethanone has a molecular weight of 410.47 g/mol, XLogP of 1.48, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(2S)-1-acetyl-2,3-dihydroindole-2-carbonyl]piperazin-1-yl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)ethanone is sourced from PubChem (CID 86881473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).