[(6R)-6-(4-methoxyphenyl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-3-yl]-[4-(3-methoxyphenyl)piperazin-1-yl]methanone

C24H27N5O4 — CID 125127944

IUPAC[(6R)-6-(4-methoxyphenyl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-3-yl]-[4-(3-methoxyphenyl)piperazin-1-yl]methanone
SMILESCOc1ccc([C@@H]2Cn3nnc(C(=O)N4CCN(c5cccc(OC)c5)CC4)c3CO2)cc1
InChIInChI=1S/C24H27N5O4/c1-31-19-8-6-17(7-9-19)22-15-29-21(16-33-22)23(25-26-29)24(30)28-12-10-27(11-13-28)18-4-3-5-20(14-18)32-2/h3-9,14,22H,10-13,15-16H2,1-2H3/t22-/m0/s1
InChIKeyQUJRDLSZGPXBMN-QFIPXVFZSA-N
MW449.51 g/mol
LogP2.53
Rot. Bonds5

About [(6R)-6-(4-methoxyphenyl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-3-yl]-[4-(3-methoxyphenyl)piperazin-1-yl]methanone

[(6R)-6-(4-methoxyphenyl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-3-yl]-[4-(3-methoxyphenyl)piperazin-1-yl]methanone (PubChem CID 125127944) has the molecular formula C24H27N5O4 and a molecular weight of 449.51 g/mol. Its IUPAC name is [(6R)-6-(4-methoxyphenyl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-3-yl]-[4-(3-methoxyphenyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name[(6R)-6-(4-methoxyphenyl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-3-yl]-[4-(3-methoxyphenyl)piperazin-1-yl]methanone
PubChem CID125127944
Molecular FormulaC24H27N5O4
Molecular Weight449.51 g/mol
Exact Mass449.21
IUPAC Name[(6R)-6-(4-methoxyphenyl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-3-yl]-[4-(3-methoxyphenyl)piperazin-1-yl]methanone
SMILESCOc1ccc([C@@H]2Cn3nnc(C(=O)N4CCN(c5cccc(OC)c5)CC4)c3CO2)cc1
InChIInChI=1S/C24H27N5O4/c1-31-19-8-6-17(7-9-19)22-15-29-21(16-33-22)23(25-26-29)24(30)28-12-10-27(11-13-28)18-4-3-5-20(14-18)32-2/h3-9,14,22H,10-13,15-16H2,1-2H3/t22-/m0/s1
InChIKeyQUJRDLSZGPXBMN-QFIPXVFZSA-N
XLogP2.53
TPSA81.95 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.51
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze [(6R)-6-(4-methoxyphenyl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-3-yl]-[4-(3-methoxyphenyl)piperazin-1-yl]methanone with MolForge

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Related Compounds

1-[4-[(6S)-6-(4-methoxyphenyl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazine-3-carbonyl]piperazin-1-yl]ethanone
CID 125127758
[(6R)-6-(4-methoxyphenyl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-3-yl]-(4-methylpiperazin-1-yl)methanone
CID 125127323
[4-(2-fluorophenyl)piperazin-1-yl]-[6-(4-methoxyphenyl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-3-yl]methanone
CID 91890761
[4-[6-(4-methoxyphenyl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazine-3-carbonyl]piperazin-1-yl]-(4-methylphenyl)methanone
CID 87053663
(2,4-dimethylphenyl)-[4-[6-(4-methoxyphenyl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazine-3-carbonyl]piperazin-1-yl]methanone
CID 87053647
(4-cyclohexylpiperazin-1-yl)-[(6R)-6-(4-methoxyphenyl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-3-yl]methanone
CID 125127049
1-[4-[6-(4-methoxyphenyl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazine-3-carbonyl]piperazin-1-yl]-3-phenylpropan-1-one
CID 87053655
N-(cyclopropylmethyl)-1-[6-(4-methoxyphenyl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazine-3-carbonyl]piperidine-4-carboxamide
CID 87053719
(2-methoxyphenyl)-[4-(6-phenyl-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazine-3-carbonyl)piperazin-1-yl]methanone
CID 87053571
2-phenoxy-1-[4-(6-phenyl-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazine-3-carbonyl)piperazin-1-yl]ethanone
CID 87053549
1-[4-[6-(4-chlorophenyl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazine-3-carbonyl]piperazin-1-yl]-2-(3-methylphenoxy)ethanone
CID 87053626
1-[6-(4-fluorophenyl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazine-3-carbonyl]-N-(4-methoxyphenyl)piperidine-4-carboxamide
CID 91889301

Frequently Asked Questions

What is the IUPAC name of [(6R)-6-(4-methoxyphenyl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-3-yl]-[4-(3-methoxyphenyl)piperazin-1-yl]methanone?
The IUPAC name of [(6R)-6-(4-methoxyphenyl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-3-yl]-[4-(3-methoxyphenyl)piperazin-1-yl]methanone (CID 125127944) is [(6R)-6-(4-methoxyphenyl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-3-yl]-[4-(3-methoxyphenyl)piperazin-1-yl]methanone.
What is the SMILES notation for [(6R)-6-(4-methoxyphenyl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-3-yl]-[4-(3-methoxyphenyl)piperazin-1-yl]methanone?
The canonical SMILES for [(6R)-6-(4-methoxyphenyl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-3-yl]-[4-(3-methoxyphenyl)piperazin-1-yl]methanone is COc1ccc([C@@H]2Cn3nnc(C(=O)N4CCN(c5cccc(OC)c5)CC4)c3CO2)cc1.
What is the InChIKey of [(6R)-6-(4-methoxyphenyl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-3-yl]-[4-(3-methoxyphenyl)piperazin-1-yl]methanone?
The InChIKey is QUJRDLSZGPXBMN-QFIPXVFZSA-N. The full InChI is InChI=1S/C24H27N5O4/c1-31-19-8-6-17(7-9-19)22-15-29-21(16-33-22)23(25-26-29)24(30)28-12-10-27(11-13-28)18-4-3-5-20(14-18)32-2/h3-9,14,22H,10-13,15-16H2,1-2H3/t22-/m0/s1.
What are the key properties of [(6R)-6-(4-methoxyphenyl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-3-yl]-[4-(3-methoxyphenyl)piperazin-1-yl]methanone?
[(6R)-6-(4-methoxyphenyl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-3-yl]-[4-(3-methoxyphenyl)piperazin-1-yl]methanone has a molecular weight of 449.51 g/mol, XLogP of 2.53, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [(6R)-6-(4-methoxyphenyl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-3-yl]-[4-(3-methoxyphenyl)piperazin-1-yl]methanone is sourced from PubChem (CID 125127944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).