[4-[6-(4-chlorophenyl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazine-3-carbonyl]piperazin-1-yl]-(1H-indol-2-yl)methanone

C25H23ClN6O3 — CID 87053619

IUPAC[4-[6-(4-chlorophenyl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazine-3-carbonyl]piperazin-1-yl]-(1H-indol-2-yl)methanone
SMILESO=C(c1cc2ccccc2[nH]1)N1CCN(C(=O)c2nnn3c2COC(c2ccc(Cl)cc2)C3)CC1
InChIInChI=1S/C25H23ClN6O3/c26-18-7-5-16(6-8-18)22-14-32-21(15-35-22)23(28-29-32)25(34)31-11-9-30(10-12-31)24(33)20-13-17-3-1-2-4-19(17)27-20/h1-8,13,22,27H,9-12,14-15H2
InChIKeyHIYYHFRUBQXIFJ-UHFFFAOYSA-N
MW490.95 g/mol
LogP3.28
Rot. Bonds3

About [4-[6-(4-chlorophenyl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazine-3-carbonyl]piperazin-1-yl]-(1H-indol-2-yl)methanone

[4-[6-(4-chlorophenyl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazine-3-carbonyl]piperazin-1-yl]-(1H-indol-2-yl)methanone (PubChem CID 87053619) has the molecular formula C25H23ClN6O3 and a molecular weight of 490.95 g/mol. Its IUPAC name is [4-[6-(4-chlorophenyl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazine-3-carbonyl]piperazin-1-yl]-(1H-indol-2-yl)methanone.

Molecular Properties

Compound Name[4-[6-(4-chlorophenyl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazine-3-carbonyl]piperazin-1-yl]-(1H-indol-2-yl)methanone
PubChem CID87053619
Molecular FormulaC25H23ClN6O3
Molecular Weight490.95 g/mol
Exact Mass490.15
IUPAC Name[4-[6-(4-chlorophenyl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazine-3-carbonyl]piperazin-1-yl]-(1H-indol-2-yl)methanone
SMILESO=C(c1cc2ccccc2[nH]1)N1CCN(C(=O)c2nnn3c2COC(c2ccc(Cl)cc2)C3)CC1
InChIInChI=1S/C25H23ClN6O3/c26-18-7-5-16(6-8-18)22-14-32-21(15-35-22)23(28-29-32)25(34)31-11-9-30(10-12-31)24(33)20-13-17-3-1-2-4-19(17)27-20/h1-8,13,22,27H,9-12,14-15H2
InChIKeyHIYYHFRUBQXIFJ-UHFFFAOYSA-N
XLogP3.28
TPSA96.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.95
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [4-[6-(4-chlorophenyl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazine-3-carbonyl]piperazin-1-yl]-(1H-indol-2-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [4-[6-(4-chlorophenyl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazine-3-carbonyl]piperazin-1-yl]-(1H-indol-2-yl)methanone?
The IUPAC name of [4-[6-(4-chlorophenyl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazine-3-carbonyl]piperazin-1-yl]-(1H-indol-2-yl)methanone (CID 87053619) is [4-[6-(4-chlorophenyl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazine-3-carbonyl]piperazin-1-yl]-(1H-indol-2-yl)methanone.
What is the SMILES notation for [4-[6-(4-chlorophenyl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazine-3-carbonyl]piperazin-1-yl]-(1H-indol-2-yl)methanone?
The canonical SMILES for [4-[6-(4-chlorophenyl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazine-3-carbonyl]piperazin-1-yl]-(1H-indol-2-yl)methanone is O=C(c1cc2ccccc2[nH]1)N1CCN(C(=O)c2nnn3c2COC(c2ccc(Cl)cc2)C3)CC1.
What is the InChIKey of [4-[6-(4-chlorophenyl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazine-3-carbonyl]piperazin-1-yl]-(1H-indol-2-yl)methanone?
The InChIKey is HIYYHFRUBQXIFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23ClN6O3/c26-18-7-5-16(6-8-18)22-14-32-21(15-35-22)23(28-29-32)25(34)31-11-9-30(10-12-31)24(33)20-13-17-3-1-2-4-19(17)27-20/h1-8,13,22,27H,9-12,14-15H2.
What are the key properties of [4-[6-(4-chlorophenyl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazine-3-carbonyl]piperazin-1-yl]-(1H-indol-2-yl)methanone?
[4-[6-(4-chlorophenyl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazine-3-carbonyl]piperazin-1-yl]-(1H-indol-2-yl)methanone has a molecular weight of 490.95 g/mol, XLogP of 3.28, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[6-(4-chlorophenyl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazine-3-carbonyl]piperazin-1-yl]-(1H-indol-2-yl)methanone is sourced from PubChem (CID 87053619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).